diethyl 3-methyl-5-[[phenyl-(phenylmethyl)carbamothioyl]amino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[phenyl-(phenylmethyl)carbamothioyl]amino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[benzyl(phenyl)carbamothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(N-(phenylmethyl)anilino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[benzyl(phenyl)carbamothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[benzyl(phenyl)thiocarbamoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H26N2O4S2 MolecularWeight: 482.61494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N(CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N(CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O4S2/c1-4-30-23(28)20-17(3)21(24(29)31-5-2)33-22(20)26-25(32)27(19-14-10-7-11-15-19)16-18-12-8-6-9-13-18/h6-15H,4-5,16H2,1-3H3,(H,26,32)