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

Systemtic Name: (2S)-N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-methyl-2-(2-phenylethanoylamino)butanamide Openeye Name: (2S)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide CAS Name: (2S)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanamide IUPAC Name: (2S)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide Traditional Name: (2S)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-2-[(2-phenylacetyl)amino]butyramide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3O2S/c1-12(2)18(23-17(25)10-13-6-4-3-5-7-13)19(26)24-20-22-15-9-8-14(21)11-16(15)27-20/h3-9,11-12,18H,10H2,1-2H3,(H,23,25)(H,22,24,26)/t18-/m0/s1