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

Systemtic Name: ethyl 3-[[2-(ethylcarbamothioyl)pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(ethylcarbamothioyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[ethylamino(sulfanylidene)methyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(ethylcarbamothioyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(ethylthiocarbamoyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C16H22N4O3S MolecularWeight: 350.43588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCCN1C(=O)NC2=CC=CC(=C2)C(=O)OCC

Isomeric SMILES

CCNC(=S)N1CCCN1C(=O)NC2=CC=CC(=C2)C(=O)OCC

InChI

InChI=1S/C16H22N4O3S/c1-3-17-16(24)20-10-6-9-19(20)15(22)18-13-8-5-7-12(11-13)14(21)23-4-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,17,24)(H,18,22)