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

Systemtic Name: N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-3-methyl-butyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-3-methyl-1-methylol-butyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S/c1-12(2)9-14(11-22)19-17(23)13-5-6-15-16(10-13)24-18(20-15)21-7-3-4-8-21/h3-8,10,12,14,22H,9,11H2,1-2H3,(H,19,23)/t14-/m0/s1