N-(3-methyl-1-oxidanyl-butan-2-yl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(3-methyl-1-oxidanyl-butan-2-yl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[1-(hydroxymethyl)-2-methyl-propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-(1-hydroxy-3-methylbutan-2-yl)-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(1-hydroxy-3-methylbutan-2-yl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-methyl-1-methylol-propyl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S/c1-11(2)14(10-21)18-16(22)12-5-6-13-15(9-12)23-17(19-13)20-7-3-4-8-20/h3-9,11,14,21H,10H2,1-2H3,(H,18,22)