2-[2-[4-(1,3-benzothiazol-2-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[2-[4-(1,3-benzothiazole-2-carbonyl)-1-piperidyl]-2-oxo-ethyl]-4-methyl-phthalazin-1-one CAS Name: 2-[2-[4-[1,3-benzothiazol-2-yl(oxo)methyl]-1-piperidinyl]-2-oxoethyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[2-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one Traditional Name: 2-[2-[4-(1,3-benzothiazole-2-carbonyl)piperidino]-2-keto-ethyl]-4-methyl-phthalazin-1-one Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCC(CC3)C(=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCC(CC3)C(=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H22N4O3S/c1-15-17-6-2-3-7-18(17)24(31)28(26-15)14-21(29)27-12-10-16(11-13-27)22(30)23-25-19-8-4-5-9-20(19)32-23/h2-9,16H,10-14H2,1H3