N-(4-tert-butylphenyl)-3-[(3-cyano-7,7-dimethyl-5-oxidanylidene-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(4-tert-butylphenyl)-3-[(3-cyano-7,7-dimethyl-5-oxidanylidene-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]propanamide Openeye Name: N-(4-tert-butylphenyl)-3-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]propanamide CAS Name: N-(4-tert-butylphenyl)-3-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)thio]propanamide IUPAC Name: N-(4-tert-butylphenyl)-3-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]propanamide Traditional Name: N-(4-tert-butylphenyl)-3-[(3-cyano-5-keto-7,7-dimethyl-4-phenyl-6,8-dihydroquinolin-2-yl)thio]propionamide Formula: C31H33N3O2S MolecularWeight: 511.67762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCCC(=O)NC3=CC=C(C=C3)C(C)(C)C)C#N)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCCC(=O)NC3=CC=C(C=C3)C(C)(C)C)C#N)C4=CC=CC=C4)C

InChI

InChI=1S/C31H33N3O2S/c1-30(2,3)21-11-13-22(14-12-21)33-26(36)15-16-37-29-23(19-32)27(20-9-7-6-8-10-20)28-24(34-29)17-31(4,5)18-25(28)35/h6-14H,15-18H2,1-5H3,(H,33,36)