2-(2,5-dimethylpyrrol-1-yl)-N-(4-methylsulfanyl-1-oxidanyl-butan-2-yl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(4-methylsulfanyl-1-oxidanyl-butan-2-yl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-N-[1-(hydroxymethyl)-3-methylsulfanyl-propyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-N-[1-hydroxy-4-(methylthio)butan-2-yl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-N-[1-methylol-3-(methylthio)propyl]-1,3-benzothiazole-6-carboxamide Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NC(CCSC)CO)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NC(CCSC)CO)C

InChI

InChI=1S/C19H23N3O2S2/c1-12-4-5-13(2)22(12)19-21-16-7-6-14(10-17(16)26-19)18(24)20-15(11-23)8-9-25-3/h4-7,10,15,23H,8-9,11H2,1-3H3,(H,20,24)