2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 2-[(5-tert-butyl-2-methylphenyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 2-(5-tert-butyl-2-methylphenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 2-[(5-tert-butyl-2-methyl-phenyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C23H29NOS MolecularWeight: 367.54746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)SC(C)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)SC(C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C23H29NOS/c1-16-10-11-20(23(3,4)5)14-21(16)26-17(2)22(25)24-13-12-18-8-6-7-9-19(18)15-24/h6-11,14,17H,12-13,15H2,1-5H3