N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-2,6-dimethoxy-benzamide Openeye Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-2,6-dimethoxy-benzamide CAS Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]thio]phenyl]-2,6-dimethoxybenzamide IUPAC Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2,6-dimethoxybenzamide Traditional Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-phenyl-ethyl]thio]phenyl]-2,6-dimethoxy-benzamide Formula: C30H26N2O6S MolecularWeight: 542.60224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C30H26N2O6S/c1-35-24-12-7-13-25(36-2)27(24)29(33)31-20-10-6-11-22(16-20)39-28(19-8-4-3-5-9-19)30(34)32-21-14-15-23-26(17-21)38-18-37-23/h3-17,28H,18H2,1-2H3,(H,31,33)(H,32,34)