2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-methyl-3-nitro-phenyl)benzamide

Systemtic Name: 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-methyl-3-nitro-phenyl)benzamide Openeye Name: 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanyl-N-(4-methyl-3-nitro-phenyl)benzamide CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]thio]-N-(4-methyl-3-nitrophenyl)benzamide IUPAC Name: 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-3-nitrophenyl)benzamide Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]-N-(4-methyl-3-nitro-phenyl)benzamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O4S/c1-17-13-14-19(15-21(17)27(30)31)26-24(29)20-11-7-8-12-22(20)32-16-23(28)25-18-9-5-3-2-4-6-10-18/h7-8,11-15,18H,2-6,9-10,16H2,1H3,(H,25,28)(H,26,29)