N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propylsulfanyl]phenyl]-3-nitro-benzamide CAS Name: N-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propylthio]phenyl]-3-nitro-benzamide Formula: C25H23N3O6S MolecularWeight: 493.53162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O6S/c1-2-23(25(30)27-18-9-10-21-22(15-18)34-12-11-33-21)35-20-8-4-6-17(14-20)26-24(29)16-5-3-7-19(13-16)28(31)32/h3-10,13-15,23H,2,11-12H2,1H3,(H,26,29)(H,27,30)