ethyl 5-phenyl-2-[[phenyl-(phenylmethyl)carbamothioyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-[[phenyl-(phenylmethyl)carbamothioyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[benzyl(phenyl)carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(N-(phenylmethyl)anilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[benzyl(phenyl)carbamothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[benzyl(phenyl)thiocarbamoyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H24N2O2S2 MolecularWeight: 472.62166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N(CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O2S2/c1-2-31-26(30)23-18-24(21-14-8-4-9-15-21)33-25(23)28-27(32)29(22-16-10-5-11-17-22)19-20-12-6-3-7-13-20/h3-18H,2,19H2,1H3,(H,28,32)