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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[2-(phenylcarbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-benzoylphenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(2-benzoylanilino)-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-benzoylphenyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2-benzoylphenyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22N2O3S2 MolecularWeight: 438.56238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C23H22N2O3S2/c1-4-16-14(2)30-21(19(16)22(27)28-3)25-23(29)24-18-13-9-8-12-17(18)20(26)15-10-6-5-7-11-15/h5-13H,4H2,1-3H3,(H2,24,25,29)