(2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-butyramide Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H17N5O2S/c1-11(2)16(24-18(26)12-7-3-4-8-13(12)22-23-24)17(25)21-19-20-14-9-5-6-10-15(14)27-19/h3-11,16H,1-2H3,(H,20,21,25)/t16-/m0/s1