2-[[3-cyano-7,7-dimethyl-4-(3-nitrophenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[[3-cyano-7,7-dimethyl-4-(3-nitrophenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[3-cyano-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[3-cyano-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[3-cyano-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[3-cyano-5-keto-7,7-dimethyl-4-(3-nitrophenyl)-1,4,6,8-tetrahydroquinolin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)SCC(=O)NC3CCCCC3)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)SCC(=O)NC3CCCCC3)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C26H30N4O4S/c1-26(2)12-20-24(21(31)13-26)23(16-7-6-10-18(11-16)30(33)34)19(14-27)25(29-20)35-15-22(32)28-17-8-4-3-5-9-17/h6-7,10-11,17,23,29H,3-5,8-9,12-13,15H2,1-2H3,(H,28,32)