N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CSC4=CC=CC=[N+]4[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CSC4=CC=CC=[N+]4[O-])C

InChI

InChI=1S/C23H21N3O2S2/c1-16-11-12-19-22(17(16)2)24-23(30-19)25(14-18-8-4-3-5-9-18)20(27)15-29-21-10-6-7-13-26(21)28/h3-13H,14-15H2,1-2H3