ethyl 5-chloranyl-6-[4-(phenylcarbonylcarbamothioyl)piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-(phenylcarbonylcarbamothioyl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzoylcarbamothioyl)piperazin-1-yl]-5-chloro-pyridine-3-carboxylate CAS Name: 6-[4-[benzamido(sulfanylidene)methyl]-1-piperazinyl]-5-chloro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzoylcarbamothioyl)piperazin-1-yl]-5-chloropyridine-3-carboxylate Traditional Name: 6-[4-(benzoylthiocarbamoyl)piperazino]-5-chloro-nicotinic acid ethyl ester Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H21ClN4O3S/c1-2-28-19(27)15-12-16(21)17(22-13-15)24-8-10-25(11-9-24)20(29)23-18(26)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,23,26,29)