2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)benzamide

Systemtic Name: 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)benzamide Openeye Name: 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)benzamide CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-N-(2-methoxy-5-nitrophenyl)benzamide IUPAC Name: 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-nitrophenyl)benzamide Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-N-(2-methoxy-5-nitro-phenyl)benzamide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

InChI

InChI=1S/C23H27N3O5S/c1-31-20-12-11-17(26(29)30)13-19(20)25-23(28)18-9-5-6-10-21(18)32-15-22(27)24-14-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14-15H2,1H3,(H,24,27)(H,25,28)