590400-23-0
3-CHLORO-6-METHOXY-N-[[[(TETRAHYDRO-2-FURANYL)METHYL]AMINO]THIOXOMETHYL]-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name
3-CHLORO-6-METHOXY-N-[[[(TETRAHYDRO-2-FURANYL)METHYL]AMINO]THIOXOMETHYL]-BENZO[B]THIOPHENE-2-CARBOXAMIDE
pro_formula
C16 H17 Cl N2 O3 S2
pro_molWeight
384.906
1Identification
【Name】
3-CHLORO-6-METHOXY-N-[[[(TETRAHYDRO-2-FURANYL)METHYL]AMINO]THIOXOMETHYL]-BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03590210
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H17 Cl N2 O3 S2
【pro_molWeight】
384.906
【Inchi】
InChI=1S/C16H17ClN2O3S2/c1-21-9-4-5-11-12(7-9)24-14(13(11)17)15(20)19-16(23)18-8-10-3-2-6-22-10/h4-5,7,10H,2-3,6,8H2,1H3,(H2,18,19,20,23)
【InChIKey】
InChIKey=HFQUPJVHNZYGKE-UHFFFAOYSA-N
【SMILES】
COc1ccc2c(c1)sc(c2Cl)C(=O)NC(=S)NCC3CCCO3
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F