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

Systemtic Name: N-(4-ethanoylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanamide Openeye Name: N-(4-acetylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanamide CAS Name: N-(4-acetylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]butanamide IUPAC Name: N-(4-acetylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanamide Traditional Name: N-(4-acetylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]butyramide Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S2/c1-3-16(18(24)20-13-6-4-12(5-7-13)11(2)23)27-19-21-15-9-8-14(22(25)26)10-17(15)28-19/h4-10,16H,3H2,1-2H3,(H,20,24)