3-oxidanylidene-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 3-oxidanylidene-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 3-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-4H-1,4-benzothiazine-6-carboxamide CAS Name: 3-oxo-N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 3-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-4H-1,4-benzothiazine-6-carboxamide Formula: C20H18N6O3S MolecularWeight: 422.46032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3)N4C=NC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3)N4C=NC=N4

InChI

InChI=1S/C20H18N6O3S/c1-12(26-11-21-10-22-26)19(28)23-14-3-5-15(6-4-14)24-20(29)13-2-7-17-16(8-13)25-18(27)9-30-17/h2-8,10-12H,9H2,1H3,(H,23,28)(H,24,29)(H,25,27)