methyl 5-phenyl-2-[[2-(phenylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-[[2-(phenylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-benzylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[2-(phenylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-benzylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-benzylphenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H22N2O2S2 MolecularWeight: 458.59508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O2S2/c1-30-25(29)21-17-23(19-12-6-3-7-13-19)32-24(21)28-26(31)27-22-15-9-8-14-20(22)16-18-10-4-2-5-11-18/h2-15,17H,16H2,1H3,(H2,27,28,31)