4-[[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]-cyclopropyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]-cyclopropyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl]-cyclopropyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-cyclopropylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-cyclopropylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[cyclopropyl-[2-keto-2-(piazthiol-4-ylamino)ethyl]amino]methyl]-N-methyl-benzamide Formula: C20H21N5O2S MolecularWeight: 395.47804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(CC(=O)NC2=CC=CC3=NSN=C32)C4CC4

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(CC(=O)NC2=CC=CC3=NSN=C32)C4CC4

InChI

InChI=1S/C20H21N5O2S/c1-21-20(27)14-7-5-13(6-8-14)11-25(15-9-10-15)12-18(26)22-16-3-2-4-17-19(16)24-28-23-17/h2-8,15H,9-12H2,1H3,(H,21,27)(H,22,26)