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

Systemtic Name: methyl 3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]carbonylpyridine-4-carboxylate Openeye Name: methyl 3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidine-1-carbonyl]pyridine-4-carboxylate CAS Name: 3-[[2-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidine-1-carbonyl]pyridine-4-carboxylate Traditional Name: 3-[2-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]pyrazolidine-1-carbonyl]isonicotinic acid methyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=NC=C1)C(=O)N2CCCN2C(=S)NCCC3=CCCCC3

Isomeric SMILES

COC(=O)C1=C(C=NC=C1)C(=O)N2CCCN2C(=S)NCCC3=CCCCC3

InChI

InChI=1S/C20H26N4O3S/c1-27-19(26)16-9-10-21-14-17(16)18(25)23-12-5-13-24(23)20(28)22-11-8-15-6-3-2-4-7-15/h6,9-10,14H,2-5,7-8,11-13H2,1H3,(H,22,28)