methyl 5-(phenylmethyl)-2-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(phenylmethyl)-2-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[4-[(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(benzylsulfamoyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C27H25N3O4S3 MolecularWeight: 551.7001

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4S3/c1-34-26(31)24-17-22(16-19-8-4-2-5-9-19)36-25(24)30-27(35)29-21-12-14-23(15-13-21)37(32,33)28-18-20-10-6-3-7-11-20/h2-15,17,28H,16,18H2,1H3,(H2,29,30,35)