N-[2-chloranyl-3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]carbonyl-phenyl]ethanamide

Systemtic Name: N-[2-chloranyl-3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]carbonyl-phenyl]ethanamide Openeye Name: N-[2-chloro-3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidine-1-carbonyl]phenyl]acetamide CAS Name: N-[2-chloro-3-[[2-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]phenyl]acetamide IUPAC Name: N-[2-chloro-3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidine-1-carbonyl]phenyl]acetamide Traditional Name: N-[2-chloro-3-[2-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]pyrazolidine-1-carbonyl]phenyl]acetamide Formula: C21H27ClN4O2S MolecularWeight: 434.98268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1Cl)C(=O)N2CCCN2C(=S)NCCC3=CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1Cl)C(=O)N2CCCN2C(=S)NCCC3=CCCCC3

InChI

InChI=1S/C21H27ClN4O2S/c1-15(27)24-18-10-5-9-17(19(18)22)20(28)25-13-6-14-26(25)21(29)23-12-11-16-7-3-2-4-8-16/h5,7,9-10H,2-4,6,8,11-14H2,1H3,(H,23,29)(H,24,27)