2-[2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoylamino]-N-propyl-benzamide

Systemtic Name: 2-[2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoylamino]-N-propyl-benzamide Openeye Name: 2-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoylamino]-N-propyl-benzamide CAS Name: 2-[[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-oxopropyl]amino]-N-propylbenzamide IUPAC Name: 2-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoylamino]-N-propylbenzamide Traditional Name: 2-[2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propanoylamino]-N-propyl-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=O)C(C)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=O)C(C)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H22N4O4S/c1-3-12-21-20(26)14-8-4-6-10-16(14)23-19(25)13(2)22-18-15-9-5-7-11-17(15)29(27,28)24-18/h4-11,13H,3,12H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)