4-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide

Systemtic Name: 4-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide Openeye Name: 4-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide CAS Name: 4-[[2-(cycloheptylamino)-2-oxoethyl]thio]-N-(2-methoxyphenyl)-3-nitrobenzamide IUPAC Name: 4-[2-(cycloheptylamino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitrobenzamide Traditional Name: 4-[[2-(cycloheptylamino)-2-keto-ethyl]thio]-N-(2-methoxyphenyl)-3-nitro-benzamide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)NC3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)NC3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5S/c1-31-20-11-7-6-10-18(20)25-23(28)16-12-13-21(19(14-16)26(29)30)32-15-22(27)24-17-8-4-2-3-5-9-17/h6-7,10-14,17H,2-5,8-9,15H2,1H3,(H,24,27)(H,25,28)