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

Systemtic Name: methyl 6-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-(homoveratrylthiocarbamoyl)pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)C3=NC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)C3=NC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C22H26N4O5S/c1-29-18-8-5-15(13-19(18)30-2)9-10-23-22(32)26-12-4-11-25(26)20(27)17-7-6-16(14-24-17)21(28)31-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,32)