3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(allylamino)-3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(allylamino)-3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CN3C(=S)SC(=N3)NCC=C)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CN3C(=S)SC(=N3)NCC=C)OC

InChI

InChI=1S/C17H22N4O2S2/c1-4-6-18-16-19-21(17(24)25-16)11-20-7-5-12-8-14(22-2)15(23-3)9-13(12)10-20/h4,8-9H,1,5-7,10-11H2,2-3H3,(H,18,19)