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

Systemtic Name: ethyl 2-[[2-(phenylcarbonyl)phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-benzoylphenyl)carbamothioylamino]-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[(2-benzoylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzoylphenyl)carbamothioylamino]-5-benzylthiophene-3-carboxylate Traditional Name: 2-[(2-benzoylphenyl)thiocarbamoylamino]-5-benzyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H24N2O3S2 MolecularWeight: 500.63176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N2O3S2/c1-2-33-27(32)23-18-21(17-19-11-5-3-6-12-19)35-26(23)30-28(34)29-24-16-10-9-15-22(24)25(31)20-13-7-4-8-14-20/h3-16,18H,2,17H2,1H3,(H2,29,30,34)