methyl 4-(4-methylphenyl)-2-(pyridin-4-ylcarbonylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-2-(pyridin-4-ylcarbonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(p-tolyl)-2-(pyridine-4-carbonylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[[[oxo(pyridin-4-yl)methyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-(pyridine-4-carbonylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(isonicotinoylthiocarbamoylamino)-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=S)NC(=O)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=S)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C20H17N3O3S2/c1-12-3-5-13(6-4-12)15-11-28-18(16(15)19(25)26-2)23-20(27)22-17(24)14-7-9-21-10-8-14/h3-11H,1-2H3,(H2,22,23,24,27)