5460-24-2
N-[(4-METHOXYPHENYL)METHYLIDENEAMINO]-3-[2-[[(4-METHOXYPHENYL)METHYLIDENEAMINO]CARBAMOYL]ETHYLSULFANYL]PROPANAMIDE
NameN-[(4-METHOXYPHENYL)METHYLIDENEAMINO]-3-[2-[[(4-METHOXYPHENYL)METHYLIDENEAMINO]CARBAMOYL]ETHYLSULFANYL]PROPANAMIDE
pro_formulaC22 H26 N4 O4 S
1Identification
【Name】
N-[(4-METHOXYPHENYL)METHYLIDENEAMINO]-3-[2-[[(4-METHOXYPHENYL)METHYLIDENEAMINO]CARBAMOYL]ETHYLSULFANYL]PROPANAMIDE
【CAS】
【MDL】
MFCD19707237
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H26 N4 O4 S
【pro_molWeight】
442.537
【Inchi】
InChI=1S/C22H26N4O4S/c1-29-19-7-3-17(4-8-19)15-23-25-21(27)11-13-31-14-12-22(28)26-24-16-18-5-9-20(30-2)10-6-18/h3-10,15-16H,11-14H2,1-2H3,(H,25,27)(H,26,28)/b23-15+,24-16+
【InChIKey】
InChIKey=LTWICHJRBGZPLJ-DFEHQXHXSA-N
【SMILES】
COc1ccc(cc1)/C=N/NC(=O)CCSCCC(=O)N/N=C/c2ccc(cc2)OC
【MOL File】
N-[(4-METHOXYPHENYL)….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:8
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-[(4-METHOXYPHENYL)METHYLIDENEAMINO]-3-[2-[[(4-METHOXYPHENYL)METHYLIDENEAMINO]CARBAMOYL]ETHYLSULFANYL]PROPANAMIDE.cml