2-methyl-N-[2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-methyl-N-[2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-methyl-N-[2-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-methyl-N-[2-[[2-(4-nitroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-methyl-N-[2-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[[2-keto-2-(4-nitroanilino)ethyl]thio]-1,3-benzothiazol-6-yl]-2-methyl-benzamide Formula: C23H18N4O4S2 MolecularWeight: 478.54342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O4S2/c1-14-4-2-3-5-18(14)22(29)25-16-8-11-19-20(12-16)33-23(26-19)32-13-21(28)24-15-6-9-17(10-7-15)27(30)31/h2-12H,13H2,1H3,(H,24,28)(H,25,29)