N-[2-(cyclohexen-1-yl)ethyl]-2-(6-nitrohexanoyl)pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(6-nitrohexanoyl)pyrazolidine-1-carbothioamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(6-nitrohexanoyl)pyrazolidine-1-carbothioamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-(6-nitro-1-oxohexyl)-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(6-nitrohexanoyl)pyrazolidine-1-carbothioamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(6-nitrohexanoyl)pyrazolidine-1-carbothioamide Formula: C18H30N4O3S MolecularWeight: 382.5208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)CCCCC[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)CCCCC[N+](=O)[O-]

InChI

InChI=1S/C18H30N4O3S/c23-17(10-5-2-6-15-22(24)25)20-13-7-14-21(20)18(26)19-12-11-16-8-3-1-4-9-16/h8H,1-7,9-15H2,(H,19,26)