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

Systemtic Name: 3,4-dimethoxy-N-[2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3,4-dimethoxy-N-[2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 3,4-dimethoxy-N-[2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3,4-dimethoxy-N-[2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Formula: C24H19N3O6S2 MolecularWeight: 509.55416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C24H19N3O6S2/c1-32-20-10-5-15(11-21(20)33-2)23(29)25-16-6-9-18-22(12-16)35-24(26-18)34-13-19(28)14-3-7-17(8-4-14)27(30)31/h3-12H,13H2,1-2H3,(H,25,29)