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

Systemtic Name: ethyl 5-phenyl-2-[(2-phenylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[(2-phenylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(2-phenylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[(2-phenylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[(2-phenylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C26H22N2O2S2 MolecularWeight: 458.59508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O2S2/c1-2-30-25(29)21-17-23(19-13-7-4-8-14-19)32-24(21)28-26(31)27-22-16-10-9-15-20(22)18-11-5-3-6-12-18/h3-17H,2H2,1H3,(H2,27,28,31)