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

Systemtic Name: methyl 5-phenyl-3-[[4-(phenylcarbonyl)phenyl]carbonylcarbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-benzoylbenzoyl)carbamothioylamino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[[[(4-benzoylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-benzoylbenzoyl)carbamothioylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[(4-benzoylbenzoyl)thiocarbamoylamino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C27H20N2O4S2 MolecularWeight: 500.5887

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H20N2O4S2/c1-33-26(32)24-21(16-22(35-24)17-8-4-2-5-9-17)28-27(34)29-25(31)20-14-12-19(13-15-20)23(30)18-10-6-3-7-11-18/h2-16H,1H3,(H2,28,29,31,34)