N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-N-ethyl-5-nitro-2-phenylsulfanyl-benzamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-N-ethyl-5-nitro-2-phenylsulfanyl-benzamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-N-ethyl-5-nitro-2-phenylsulfanyl-benzamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-nitro-2-(phenylthio)benzamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-nitro-2-phenylsulfanylbenzamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-N-ethyl-5-nitro-2-(phenylthio)benzamide Formula: C25H23N3O6S MolecularWeight: 493.53162

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4

Isomeric SMILES

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4

InChI

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