4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide

Systemtic Name: 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide Openeye Name: 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide CAS Name: 4-[[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]thio]-N-(2-methoxyphenyl)-3-nitrobenzamide IUPAC Name: 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitrobenzamide Traditional Name: 4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]thio]-N-(2-methoxyphenyl)-3-nitro-benzamide Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)NCCC3=CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)NCCC3=CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O5S/c1-32-21-10-6-5-9-19(21)26-24(29)18-11-12-22(20(15-18)27(30)31)33-16-23(28)25-14-13-17-7-3-2-4-8-17/h5-7,9-12,15H,2-4,8,13-14,16H2,1H3,(H,25,28)(H,26,29)