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

Systemtic Name: 4-decoxy-N-[2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-decoxy-N-[2-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-decoxy-N-[2-[[2-(3-nitroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-decoxy-N-[2-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-decoxy-N-[2-[[2-keto-2-(3-nitroanilino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C32H36N4O5S2 MolecularWeight: 620.78204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=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

CCCCCCCCCCOC1=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/C32H36N4O5S2/c1-2-3-4-5-6-7-8-9-19-41-27-16-13-23(14-17-27)31(38)34-25-15-18-28-29(21-25)43-32(35-28)42-22-30(37)33-24-11-10-12-26(20-24)36(39)40/h10-18,20-21H,2-9,19,22H2,1H3,(H,33,37)(H,34,38)