2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(2S)-4-phenylbutan-2-yl]ethanamide

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(2S)-4-phenylbutan-2-yl]ethanamide Openeye Name: N-[(1S)-1-methyl-3-phenyl-propyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-[(2S)-4-phenylbutan-2-yl]acetamide IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(2S)-4-phenylbutan-2-yl]acetamide Traditional Name: N-[(1S)-1-methyl-3-phenyl-propyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](CCC1=CC=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O3S2/c1-13(7-8-14-5-3-2-4-6-14)20-18(23)12-26-19-21-16-10-9-15(22(24)25)11-17(16)27-19/h2-6,9-11,13H,7-8,12H2,1H3,(H,20,23)/t13-/m0/s1