3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]carbonyl-2-methyl-isoquinolin-1-one

Systemtic Name: 3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]carbonyl-2-methyl-isoquinolin-1-one Openeye Name: 3-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-2-methyl-isoquinolin-1-one CAS Name: 3-[[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-oxomethyl]-2-methyl-1-isoquinolinone IUPAC Name: 3-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-2-methylisoquinolin-1-one Traditional Name: 3-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-2-methyl-isocarbostyril Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=NSC5=CC=CC=C54

Isomeric SMILES

CN1C(=CC2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C22H20N4O2S/c1-24-18(14-15-6-2-3-7-16(15)21(24)27)22(28)26-12-10-25(11-13-26)20-17-8-4-5-9-19(17)29-23-20/h2-9,14H,10-13H2,1H3