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

Systemtic Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]thio]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-phenyl-ethyl]thio]phenyl]-3,4-dimethoxy-benzamide Formula: C31H28N2O6S MolecularWeight: 556.62882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCCO5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCCO5)OC

InChI

InChI=1S/C31H28N2O6S/c1-36-25-13-11-21(17-27(25)37-2)30(34)32-22-9-6-10-24(18-22)40-29(20-7-4-3-5-8-20)31(35)33-23-12-14-26-28(19-23)39-16-15-38-26/h3-14,17-19,29H,15-16H2,1-2H3,(H,32,34)(H,33,35)