6,7-dimethoxy-4-phenyl-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroisoquinoline-1-thione

Systemtic Name: 6,7-dimethoxy-4-phenyl-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroisoquinoline-1-thione Openeye Name: 6,7-dimethoxy-4-phenyl-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroisoquinoline-1-thione CAS Name: 6,7-dimethoxy-4-phenyl-4-[2-(1-pyrrolidinyl)ethyl]-2,3-dihydroisoquinoline-1-thione IUPAC Name: 6,7-dimethoxy-4-phenyl-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroisoquinoline-1-thione Traditional Name: 6,7-dimethoxy-4-phenyl-4-(2-pyrrolidinoethyl)-2,3-dihydroisoquinoline-1-thione Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=S)NCC2(CCN3CCCC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=S)NCC2(CCN3CCCC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H28N2O2S/c1-26-20-14-18-19(15-21(20)27-2)23(16-24-22(18)28,17-8-4-3-5-9-17)10-13-25-11-6-7-12-25/h3-5,8-9,14-15H,6-7,10-13,16H2,1-2H3,(H,24,28)