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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-ethyl-butan-1-one Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-ethyl-butan-1-one CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-ethyl-1-butanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylbutan-1-one Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-ethyl-butan-1-one Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C25H30N2O3S/c1-5-25(6-2,15-23-26-19-9-7-8-10-22(19)31-23)24(28)27-12-11-17-13-20(29-3)21(30-4)14-18(17)16-27/h7-10,13-14H,5-6,11-12,15-16H2,1-4H3