3-acetamido-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(4-methylphenyl)sulfanyl-benzamide

Systemtic Name: 3-acetamido-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(4-methylphenyl)sulfanyl-benzamide Openeye Name: 3-acetamido-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(p-tolylsulfanyl)benzamide CAS Name: 3-acetamido-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-[(4-methylphenyl)thio]benzamide IUPAC Name: 3-acetamido-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(4-methylphenyl)sulfanylbenzamide Traditional Name: 3-acetamido-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(p-tolylthio)benzamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCN3CCC4=CC=CC=C4C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCN3CCC4=CC=CC=C4C3)NC(=O)C

InChI

InChI=1S/C27H29N3O2S/c1-19-7-10-24(11-8-19)33-26-12-9-22(17-25(26)29-20(2)31)27(32)28-14-16-30-15-13-21-5-3-4-6-23(21)18-30/h3-12,17H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)