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

Systemtic Name: ethyl 3-[[2-(prop-2-enylcarbamothioyl)pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(allylcarbamothioyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[2-[(prop-2-enylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(prop-2-enylcarbamothioyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(allylthiocarbamoyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCC=C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCC=C

InChI

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