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

Systemtic Name: ethyl 2-(phenylcarbamothioylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(phenylcarbamothioylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-4-(4-phenylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(phenylcarbamothioylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate Traditional Name: 4-(4-phenylphenyl)-2-(phenylthiocarbamoylamino)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=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=S)NC4=CC=CC=C4

InChI

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