ethyl 5-methyl-4-phenyl-2-[[phenyl-(phenylmethyl)carbamothioyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[[phenyl-(phenylmethyl)carbamothioyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[benzyl(phenyl)carbamothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(N-(phenylmethyl)anilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[benzyl(phenyl)carbamothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[benzyl(phenyl)thiocarbamoyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H26N2O2S2 MolecularWeight: 486.64824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N(CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O2S2/c1-3-32-27(31)25-24(22-15-9-5-10-16-22)20(2)34-26(25)29-28(33)30(23-17-11-6-12-18-23)19-21-13-7-4-8-14-21/h4-18H,3,19H2,1-2H3,(H,29,33)