methyl 3-[[4-(1-phenylethylsulfamoyl)phenyl]carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(1-phenylethylsulfamoyl)phenyl]carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(1-phenylethylsulfamoyl)phenyl]carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[[4-(1-phenylethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(1-phenylethylsulfamoyl)phenyl]carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[[4-(1-phenylethylsulfamoyl)phenyl]thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C21H21N3O4S3 MolecularWeight: 475.60414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O4S3/c1-14(15-6-4-3-5-7-15)24-31(26,27)17-10-8-16(9-11-17)22-21(29)23-18-12-13-30-19(18)20(25)28-2/h3-14,24H,1-2H3,(H2,22,23,29)