N-[4-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]carbonyl-2-nitro-phenyl]ethanamide

Systemtic Name: N-[4-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]carbonyl-2-nitro-phenyl]ethanamide Openeye Name: N-[4-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidine-1-carbonyl]-2-nitro-phenyl]acetamide CAS Name: N-[4-[[2-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]-2-nitrophenyl]acetamide IUPAC Name: N-[4-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidine-1-carbonyl]-2-nitrophenyl]acetamide Traditional Name: N-[4-[2-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]pyrazolidine-1-carbonyl]-2-nitro-phenyl]acetamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)N2CCCN2C(=S)NCCC3=CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)N2CCCN2C(=S)NCCC3=CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O4S/c1-15(27)23-18-9-8-17(14-19(18)26(29)30)20(28)24-12-5-13-25(24)21(31)22-11-10-16-6-3-2-4-7-16/h6,8-9,14H,2-5,7,10-13H2,1H3,(H,22,31)(H,23,27)