4-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide

Systemtic Name: 4-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide Openeye Name: 4-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide CAS Name: 4-[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]thio]-N-(2-methoxyphenyl)-3-nitrobenzamide IUPAC Name: 4-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitrobenzamide Traditional Name: 4-[[2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl]thio]-N-(2-methoxyphenyl)-3-nitro-benzamide Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CSC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O5S/c1-15-7-6-9-18(16(15)2)25-23(28)14-33-22-12-11-17(13-20(22)27(30)31)24(29)26-19-8-4-5-10-21(19)32-3/h4-5,8,10-13,15-16,18H,6-7,9,14H2,1-3H3,(H,25,28)(H,26,29)