N-(2-cyanoethyl)-4-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: N-(2-cyanoethyl)-4-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: N-(2-cyanoethyl)-4-(3-oxo-1,4-benzothiazin-4-yl)-N-(3-pyridylmethyl)butanamide CAS Name: N-(2-cyanoethyl)-4-(3-oxo-1,4-benzothiazin-4-yl)-N-(3-pyridinylmethyl)butanamide IUPAC Name: N-(2-cyanoethyl)-4-(3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: N-(2-cyanoethyl)-4-(3-keto-1,4-benzothiazin-4-yl)-N-(3-pyridylmethyl)butyramide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCCC(=O)N(CCC#N)CC3=CN=CC=C3

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCCC(=O)N(CCC#N)CC3=CN=CC=C3

InChI

InChI=1S/C21H22N4O2S/c22-10-5-12-24(15-17-6-3-11-23-14-17)20(26)9-4-13-25-18-7-1-2-8-19(18)28-16-21(25)27/h1-3,6-8,11,14H,4-5,9,12-13,15-16H2