N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-3-methylsulfanyl-propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-hydroxy-4-(methylthio)butan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-1-methylol-3-(methylthio)propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C17H19N3O2S2 MolecularWeight: 361.48166

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CO)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

Isomeric SMILES

CSCC[C@@H](CO)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

InChI

InChI=1S/C17H19N3O2S2/c1-23-9-6-13(11-21)18-16(22)12-4-5-14-15(10-12)24-17(19-14)20-7-2-3-8-20/h2-5,7-8,10,13,21H,6,9,11H2,1H3,(H,18,22)/t13-/m0/s1