2-methylsulfanyl-6-piperazin-4-ium-1-ylsulfonyl-1,3-benzothiazole

Systemtic Name: 2-methylsulfanyl-6-piperazin-4-ium-1-ylsulfonyl-1,3-benzothiazole Openeye Name: 2-methylsulfanyl-6-piperazin-4-ium-1-ylsulfonyl-1,3-benzothiazole CAS Name: 2-(methylthio)-6-(1-piperazin-4-iumylsulfonyl)-1,3-benzothiazole IUPAC Name: 2-methylsulfanyl-6-piperazin-4-ium-1-ylsulfonyl-1,3-benzothiazole Traditional Name: 2-(methylthio)-6-piperazin-4-ium-1-ylsulfonyl-1,3-benzothiazole Formula: C12H16N3O2S3+ MolecularWeight: 330.46934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CC[NH2+]CC3

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C12H15N3O2S3/c1-18-12-14-10-3-2-9(8-11(10)19-12)20(16,17)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3/p+1