2-chloranyl-N-[2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-chloro-N-[2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-chloro-N-[2-[[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-chloro-N-[2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-chloro-N-[2-[[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C21H22ClN4O2S2+ MolecularWeight: 462.00798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN4O2S2/c1-25-8-10-26(11-9-25)19(27)13-29-21-24-17-7-6-14(12-18(17)30-21)23-20(28)15-4-2-3-5-16(15)22/h2-7,12H,8-11,13H2,1H3,(H,23,28)/p+1