N-[3-(dimethylamino)propyl]-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[3-(dimethylamino)propyl]-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[3-(dimethylamino)propyl]-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[3-(dimethylamino)propyl]-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[3-(dimethylamino)propyl]-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[3-(dimethylamino)propyl]-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=S)N1CCC2=CC(=C(C=C2C1C3=CC=CC=C3)OC)OC

Isomeric SMILES

CN(C)CCCNC(=S)N1CCC2=CC(=C(C=C2C1C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C23H31N3O2S/c1-25(2)13-8-12-24-23(29)26-14-11-18-15-20(27-3)21(28-4)16-19(18)22(26)17-9-6-5-7-10-17/h5-7,9-10,15-16,22H,8,11-14H2,1-4H3,(H,24,29)