ethyl 5-methyl-4-phenyl-2-[(2-phenylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[(2-phenylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[(2-phenylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(2-phenylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[(2-phenylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[(2-phenylphenyl)thiocarbamoylamino]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(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O2S2/c1-3-31-26(30)24-23(20-14-8-5-9-15-20)18(2)33-25(24)29-27(32)28-22-17-11-10-16-21(22)19-12-6-4-7-13-19/h4-17H,3H2,1-2H3,(H2,28,29,32)