6-(2-methoxy-5-propan-2-yl-phenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline

Systemtic Name: 6-(2-methoxy-5-propan-2-yl-phenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline Openeye Name: 6-(5-isopropyl-2-methoxy-phenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline CAS Name: 6-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethyl-4-[(phenethylthio)methyl]-1H-quinoline IUPAC Name: 6-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline Traditional Name: 6-(5-isopropyl-2-methoxy-phenyl)-2,2-dimethyl-4-[(phenethylthio)methyl]-1H-quinoline Formula: C30H35NOS MolecularWeight: 457.67

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OC)C2=CC3=C(C=C2)NC(C=C3CSCCC4=CC=CC=C4)(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OC)C2=CC3=C(C=C2)NC(C=C3CSCCC4=CC=CC=C4)(C)C

InChI

InChI=1S/C30H35NOS/c1-21(2)23-12-14-29(32-5)27(17-23)24-11-13-28-26(18-24)25(19-30(3,4)31-28)20-33-16-15-22-9-7-6-8-10-22/h6-14,17-19,21,31H,15-16,20H2,1-5H3