ethyl 2-(phenylcarbonylcarbamothioylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(phenylcarbonylcarbamothioylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(benzoylcarbamothioylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-4-(4-phenylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzoylcarbamothioylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-4-(4-phenylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H22N2O3S2 MolecularWeight: 486.60518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O3S2/c1-2-32-26(31)23-22(20-15-13-19(14-16-20)18-9-5-3-6-10-18)17-34-25(23)29-27(33)28-24(30)21-11-7-4-8-12-21/h3-17H,2H2,1H3,(H2,28,29,30,33)