(2S)-N-(1,3-benzothiazol-2-ylmethyl)-N,3-dimethyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-N,3-dimethyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-N,3-dimethyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-N,3-dimethyl-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-N,3-dimethyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-N,3-dimethyl-2-[(2-phenoxyacetyl)amino]butyramide Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C)CC1=NC2=CC=CC=C2S1)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N(C)CC1=NC2=CC=CC=C2S1)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-15(2)21(24-19(26)14-28-16-9-5-4-6-10-16)22(27)25(3)13-20-23-17-11-7-8-12-18(17)29-20/h4-12,15,21H,13-14H2,1-3H3,(H,24,26)/t21-/m0/s1