ethyl 3-[[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(homoveratrylthiocarbamoyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H30N4O5S/c1-4-33-22(29)18-7-5-8-19(16-18)26-23(30)27-13-6-14-28(27)24(34)25-12-11-17-9-10-20(31-2)21(15-17)32-3/h5,7-10,15-16H,4,6,11-14H2,1-3H3,(H,25,34)(H,26,30)