(2S)-N-(1,3-benzothiazol-2-yl)-2-(2,2-dimethylpropanoylamino)-3-methyl-butanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(2,2-dimethylpropanoylamino)-3-methyl-butanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(2,2-dimethylpropanoylamino)-3-methyl-butanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-1-oxopropyl)amino]-3-methylbutanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(2,2-dimethylpropanoylamino)-3-methylbutanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-(pivaloylamino)butyramide Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C(C)(C)C

InChI

InChI=1S/C17H23N3O2S/c1-10(2)13(19-15(22)17(3,4)5)14(21)20-16-18-11-8-6-7-9-12(11)23-16/h6-10,13H,1-5H3,(H,19,22)(H,18,20,21)/t13-/m0/s1