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

Systemtic Name: methyl 2-[[2-(phenylcarbonyl)phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(2-benzoylphenyl)carbamothioylamino]-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[(2-benzoylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-benzoylphenyl)carbamothioylamino]-5-benzylthiophene-3-carboxylate Traditional Name: 2-[(2-benzoylphenyl)thiocarbamoylamino]-5-benzyl-thiophene-3-carboxylic acid methyl ester Formula: C27H22N2O3S2 MolecularWeight: 486.60518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H22N2O3S2/c1-32-26(31)22-17-20(16-18-10-4-2-5-11-18)34-25(22)29-27(33)28-23-15-9-8-14-21(23)24(30)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H2,28,29,33)