N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-N-ethyl-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-N-ethyl-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-N-ethyl-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-N-ethyl-2-[(4-nitrophenyl)thio]propionamide Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6S/c1-3-23(21(26)14(2)31-17-7-5-16(6-8-17)24(27)28)13-20(25)22-15-4-9-18-19(12-15)30-11-10-29-18/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,22,25)