N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxy-5-nitro-thiophen-3-yl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxy-5-nitro-thiophen-3-yl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxy-5-nitro-thiophene-3-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(4-methoxy-5-nitro-3-thiophenyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxy-5-nitrothiophene-3-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxy-5-nitro-thiophene-3-carbonyl)pyrazolidine-1-carbothioamide Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1C(=O)N2CCCN2C(=S)NCCC3=CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(SC=C1C(=O)N2CCCN2C(=S)NCCC3=CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O4S2/c1-26-15-14(12-28-17(15)22(24)25)16(23)20-10-5-11-21(20)18(27)19-9-8-13-6-3-2-4-7-13/h6,12H,2-5,7-11H2,1H3,(H,19,27)