3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)N

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)N

InChI

InChI=1S/C23H21N5O3S/c24-21(30)20-15-5-1-2-6-16(15)23(31)28(26-20)13-19(29)27-11-9-14(10-12-27)22-25-17-7-3-4-8-18(17)32-22/h1-8,14H,9-13H2,(H2,24,30)