methyl 6-[2-[2-(4-chlorophenyl)ethylcarbamothioyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[2-(4-chlorophenyl)ethylcarbamothioyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-[2-(4-chlorophenyl)ethylcarbamothioyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[2-(4-chlorophenyl)ethylcarbamothioyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-[2-(4-chlorophenyl)ethylthiocarbamoyl]pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=S)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=S)NCCC3=CC=C(C=C3)Cl

InChI

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