ethyl 3-[[2-(cyclopropylcarbamothioyl)pyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-(cyclopropylcarbamothioyl)pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(cyclopropylcarbamothioyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[(cyclopropylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(cyclopropylcarbamothioyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(cyclopropylthiocarbamoyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NC3CC3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NC3CC3

InChI

InChI=1S/C17H22N4O3S/c1-2-24-15(22)12-5-3-6-14(11-12)18-16(23)20-9-4-10-21(20)17(25)19-13-7-8-13/h3,5-6,11,13H,2,4,7-10H2,1H3,(H,18,23)(H,19,25)