N-[3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]carbonylphenyl]ethanamide

Systemtic Name: N-[3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]carbonylphenyl]ethanamide Openeye Name: N-[3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidine-1-carbonyl]phenyl]acetamide CAS Name: N-[3-[[2-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]phenyl]acetamide IUPAC Name: N-[3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidine-1-carbonyl]phenyl]acetamide Traditional Name: N-[3-[2-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]pyrazolidine-1-carbonyl]phenyl]acetamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)N2CCCN2C(=S)NCCC3=CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)N2CCCN2C(=S)NCCC3=CCCCC3

InChI

InChI=1S/C21H28N4O2S/c1-16(26)23-19-10-5-9-18(15-19)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,23,26)