2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-propyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4S2/c1-12(23)16(9-13-5-3-2-4-6-13)20-18(24)11-27-19-21-15-8-7-14(22(25)26)10-17(15)28-19/h2-8,10,16H,9,11H2,1H3,(H,20,24)/t16-/m0/s1