methyl 5-methyl-4-phenyl-2-[[2-(phenylcarbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-[[2-(phenylcarbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-benzoylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-benzoylanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-benzoylphenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-benzoylphenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H22N2O3S2 MolecularWeight: 486.60518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H22N2O3S2/c1-17-22(18-11-5-3-6-12-18)23(26(31)32-2)25(34-17)29-27(33)28-21-16-10-9-15-20(21)24(30)19-13-7-4-8-14-19/h3-16H,1-2H3,(H2,28,29,33)