(2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)SC4=CC=CC=[N+]4[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)[C@H](C)SC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C22H19N3O2S2/c1-14-6-11-18-19(13-14)29-22(24-18)16-7-9-17(10-8-16)23-21(26)15(2)28-20-5-3-4-12-25(20)27/h3-13,15H,1-2H3,(H,23,26)/t15-/m0/s1