2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C20H22ClN4OS2+ MolecularWeight: 433.99788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21ClN4OS2/c1-24-8-10-25(11-9-24)17-7-6-14(21)12-16(17)22-19(26)13-27-20-23-15-4-2-3-5-18(15)28-20/h2-7,12H,8-11,13H2,1H3,(H,22,26)/p+1