N-[3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]carbonyl-4-nitro-phenyl]ethanamide

Systemtic Name: N-[3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]carbonyl-4-nitro-phenyl]ethanamide Openeye Name: N-[3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidine-1-carbonyl]-4-nitro-phenyl]acetamide CAS Name: N-[3-[[2-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]-4-nitrophenyl]acetamide IUPAC Name: N-[3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidine-1-carbonyl]-4-nitrophenyl]acetamide Traditional Name: N-[3-[2-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]pyrazolidine-1-carbonyl]-4-nitro-phenyl]acetamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O4S/c1-15(27)23-17-8-9-19(26(29)30)18(14-17)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)