(2S)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-phenylethanoylamino)butanamide

Systemtic Name: (2S)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-phenylethanoylamino)butanamide Openeye Name: (2S)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide CAS Name: (2S)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(1-oxo-2-phenylethyl)amino]butanamide IUPAC Name: (2S)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide Traditional Name: (2S)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-phenylacetyl)amino]butyramide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C(C)C)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](C(C)C)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-13(2)19(23-18(25)12-15-7-5-4-6-8-15)20(26)24-21-22-16-10-9-14(3)11-17(16)27-21/h4-11,13,19H,12H2,1-3H3,(H,23,25)(H,22,24,26)/t19-/m0/s1