1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea

Systemtic Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea Openeye Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea CAS Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[4-(methylthio)phenyl]urea IUPAC Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[4-(methylthio)phenyl]urea Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2CC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)SC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2CC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)SC)OC

InChI

InChI=1S/C26H27N3O3S/c1-31-24-15-18-12-13-27-23(22(18)16-25(24)32-2)14-17-4-6-19(7-5-17)28-26(30)29-20-8-10-21(33-3)11-9-20/h4-11,15-16H,12-14H2,1-3H3,(H2,28,29,30)