N-[6-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]-1,3-benzothiazol-2-yl]butanamide

Systemtic Name: N-[6-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[[2-(1-oxophthalazin-2-yl)acetyl]amino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[[2-(1-oxophthalazin-2-yl)acetyl]amino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[[2-(1-ketophthalazin-2-yl)acetyl]amino]-1,3-benzothiazol-2-yl]butyramide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C21H19N5O3S/c1-2-5-18(27)25-21-24-16-9-8-14(10-17(16)30-21)23-19(28)12-26-20(29)15-7-4-3-6-13(15)11-22-26/h3-4,6-11H,2,5,12H2,1H3,(H,23,28)(H,24,25,27)