[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[2-(phenylthio)-3-pyridyl]methanone Formula: C24H23N4OS2+ MolecularWeight: 447.59562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=C(N=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=C(N=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C24H22N4OS2/c29-24(19-9-6-12-25-23(19)30-18-7-2-1-3-8-18)28-15-13-27(14-16-28)17-22-26-20-10-4-5-11-21(20)31-22/h1-12H,13-17H2/p+1