ethyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[[4-(p-tolylsulfonylamino)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-[(4-methylphenyl)sulfonylamino]anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[4-(tosylamino)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H25N3O4S3 MolecularWeight: 551.7001

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H25N3O4S3/c1-3-34-26(31)23-17-24(19-7-5-4-6-8-19)36-25(23)29-27(35)28-20-11-13-21(14-12-20)30-37(32,33)22-15-9-18(2)10-16-22/h4-17,30H,3H2,1-2H3,(H2,28,29,35)