2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylbutyl]ethanamide

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylbutyl]ethanamide Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylbutyl]acetamide CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-[(1R)-1-phenylbutyl]acetamide IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylbutyl]acetamide Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-[(1R)-1-phenylbutyl]acetamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S2/c1-2-6-15(13-7-4-3-5-8-13)20-18(23)12-26-19-21-16-10-9-14(22(24)25)11-17(16)27-19/h3-5,7-11,15H,2,6,12H2,1H3,(H,20,23)/t15-/m1/s1