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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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