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

Systemtic Name: N-(4-ethanoylphenyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(4-acetylphenyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzamide CAS Name: N-(4-acetylphenyl)-4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]benzamide IUPAC Name: N-(4-acetylphenyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(4-acetylphenyl)-4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]benzamide Formula: C23H17N3O4S2 MolecularWeight: 463.52878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O4S2/c1-14(27)16-6-8-18(9-7-16)24-22(28)17-4-2-15(3-5-17)13-31-23-25-20-11-10-19(26(29)30)12-21(20)32-23/h2-12H,13H2,1H3,(H,24,28)