N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-thiazol-2-ylsulfanyl-acetamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-(2-thiazolylthio)acetamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(1,3-thiazol-2-ylsulfanyl)acetamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(thiazol-2-ylthio)acetamide Formula: C16H21N4O3S3+ MolecularWeight: 413.55794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CS3

InChI

InChI=1S/C16H20N4O3S3/c1-19-7-9-20(10-8-19)26(22,23)14-4-2-13(3-5-14)18-15(21)12-25-16-17-6-11-24-16/h2-6,11H,7-10,12H2,1H3,(H,18,21)/p+1