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

Systemtic Name: 3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]carbonyl-2H-isoquinolin-1-one Openeye Name: 3-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-2H-isoquinolin-1-one CAS Name: 3-[[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-2H-isoquinolin-1-one Traditional Name: 3-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]isocarbostyril Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)C4=CC5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)C4=CC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C21H18N4O2S/c26-20-15-6-2-1-5-14(15)13-17(22-20)21(27)25-11-9-24(10-12-25)19-16-7-3-4-8-18(16)28-23-19/h1-8,13H,9-12H2,(H,22,26)