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

Systemtic Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propylsulfanyl]phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl]thio]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propylthio]phenyl]-3,4-dimethoxy-benzamide Formula: C27H28N2O6S MolecularWeight: 508.58602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=CC(=C3)NC(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=CC(=C3)NC(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H28N2O6S/c1-4-25(27(31)29-19-9-11-22-24(16-19)35-13-12-34-22)36-20-7-5-6-18(15-20)28-26(30)17-8-10-21(32-2)23(14-17)33-3/h5-11,14-16,25H,4,12-13H2,1-3H3,(H,28,30)(H,29,31)