2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-N-(3-ethanoylphenyl)pyrazolidine-1-carboxamide

Systemtic Name: 2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-N-(3-ethanoylphenyl)pyrazolidine-1-carboxamide Openeye Name: N-(3-acetylphenyl)-2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidine-1-carboxamide CAS Name: N-(3-acetylphenyl)-2-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidine-1-carboxamide Traditional Name: N-(3-acetylphenyl)-2-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]pyrazolidine-1-carboxamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCCC3=CCCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCCC3=CCCCC3

InChI

InChI=1S/C21H28N4O2S/c1-16(26)18-9-5-10-19(15-18)23-20(27)24-13-6-14-25(24)21(28)22-12-11-17-7-3-2-4-8-17/h5,7,9-10,15H,2-4,6,8,11-14H2,1H3,(H,22,28)(H,23,27)