2-azanyl-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanyl]phenyl]benzamide

Systemtic Name: 2-azanyl-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanyl]phenyl]benzamide Openeye Name: 2-amino-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanyl]phenyl]benzamide CAS Name: 2-amino-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylthio]phenyl]benzamide IUPAC Name: 2-amino-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanyl]phenyl]benzamide Traditional Name: 2-amino-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylthio]phenyl]benzamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCSC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCSC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4N)OC

InChI

InChI=1S/C26H29N3O3S/c1-31-24-15-18-11-12-29(17-19(18)16-25(24)32-2)13-14-33-21-9-7-20(8-10-21)28-26(30)22-5-3-4-6-23(22)27/h3-10,15-16H,11-14,17,27H2,1-2H3,(H,28,30)