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

Systemtic Name: 3-acetamido-4-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide Openeye Name: 3-acetamido-4-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide CAS Name: 3-acetamido-4-[(4-chlorophenyl)thio]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide IUPAC Name: 3-acetamido-4-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide Traditional Name: 3-acetamido-4-[(4-chlorophenyl)thio]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide Formula: C26H26ClN3O2S MolecularWeight: 480.02154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)NCCN2CCC3=CC=CC=C3C2)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)NCCN2CCC3=CC=CC=C3C2)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H26ClN3O2S/c1-18(31)29-24-16-20(6-11-25(24)33-23-9-7-22(27)8-10-23)26(32)28-13-15-30-14-12-19-4-2-3-5-21(19)17-30/h2-11,16H,12-15,17H2,1H3,(H,28,32)(H,29,31)