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

Systemtic Name: N-(4-butylphenyl)-2-[[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[[4-(4-chlorophenyl)-3-cyano-5-keto-7,7-dimethyl-1,4,6,8-tetrahydroquinolin-2-yl]thio]acetamide Formula: C30H32ClN3O2S MolecularWeight: 534.11198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C30H32ClN3O2S/c1-4-5-6-19-7-13-22(14-8-19)33-26(36)18-37-29-23(17-32)27(20-9-11-21(31)12-10-20)28-24(34-29)15-30(2,3)16-25(28)35/h7-14,27,34H,4-6,15-16,18H2,1-3H3,(H,33,36)