2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-N-(2,6-dimethylphenyl)pyrazolidine-1-carboxamide

Systemtic Name: 2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-N-(2,6-dimethylphenyl)pyrazolidine-1-carboxamide Openeye Name: 2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-N-(2,6-dimethylphenyl)pyrazolidine-1-carboxamide CAS Name: 2-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-N-(2,6-dimethylphenyl)-1-pyrazolidinecarboxamide IUPAC Name: 2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-N-(2,6-dimethylphenyl)pyrazolidine-1-carboxamide Traditional Name: 2-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]-N-(2,6-dimethylphenyl)pyrazolidine-1-carboxamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)N2CCCN2C(=S)NCCC3=CCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N2CCCN2C(=S)NCCC3=CCCCC3

InChI

InChI=1S/C21H30N4OS/c1-16-8-6-9-17(2)19(16)23-20(26)24-14-7-15-25(24)21(27)22-13-12-18-10-4-3-5-11-18/h6,8-10H,3-5,7,11-15H2,1-2H3,(H,22,27)(H,23,26)