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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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