N-tert-butyl-4-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]benzamide

Systemtic Name: N-tert-butyl-4-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]benzamide Openeye Name: N-tert-butyl-4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide CAS Name: N-tert-butyl-4-[[1-oxo-3-(3-oxo-1,4-benzothiazin-4-yl)propyl]amino]benzamide IUPAC Name: N-tert-butyl-4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide Traditional Name: N-tert-butyl-4-[3-(3-keto-1,4-benzothiazin-4-yl)propanoylamino]benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C22H25N3O3S/c1-22(2,3)24-21(28)15-8-10-16(11-9-15)23-19(26)12-13-25-17-6-4-5-7-18(17)29-14-20(25)27/h4-11H,12-14H2,1-3H3,(H,23,26)(H,24,28)