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

Systemtic Name: 3-[2-[1,3-benzothiazol-2-yl(butyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[1,3-benzothiazol-2-yl(butyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[1,3-benzothiazol-2-yl(butyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[1,3-benzothiazol-2-yl(butyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[1,3-benzothiazol-2-yl(butyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=NC2=CC=CC=C2S1)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

Isomeric SMILES

CCCCN(C1=NC2=CC=CC=C2S1)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

InChI

InChI=1S/C22H21N5O3S/c1-2-3-12-26(22-24-16-10-6-7-11-17(16)31-22)18(28)13-27-21(30)15-9-5-4-8-14(15)19(25-27)20(23)29/h4-11H,2-3,12-13H2,1H3,(H2,23,29)