(2R)-N-(4-ethanoylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(4-ethanoylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propionamide Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4S2/c1-10(22)12-3-5-13(6-4-12)19-17(23)11(2)26-18-20-15-8-7-14(21(24)25)9-16(15)27-18/h3-9,11H,1-2H3,(H,19,23)/t11-/m1/s1