4-(1,3-benzothiazol-2-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCCC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCCC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H24N2O3S/c1-26-18-12-15-10-11-24(14-16(15)13-19(18)27-2)22(25)9-5-8-21-23-17-6-3-4-7-20(17)28-21/h3-4,6-7,12-13H,5,8-11,14H2,1-2H3