ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-(pyridin-4-ylcarbonylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-(pyridin-4-ylcarbonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(o-tolylcarbamoyl)-2-(pyridine-4-carbonylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-methyl-5-[(2-methylanilino)-oxomethyl]-2-[[[[oxo(pyridin-4-yl)methyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-(pyridine-4-carbonylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(isonicotinoylthiocarbamoylamino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H22N4O4S2 MolecularWeight: 482.57518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC(=S)NC(=O)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC(=S)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C23H22N4O4S2/c1-4-31-22(30)17-14(3)18(20(29)25-16-8-6-5-7-13(16)2)33-21(17)27-23(32)26-19(28)15-9-11-24-12-10-15/h5-12H,4H2,1-3H3,(H,25,29)(H2,26,27,28,32)