N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylphenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylphenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]phenyl]-3,4-dimethoxy-benzamide Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C24H22N2O6S/c1-29-19-8-6-15(10-21(19)30-2)24(28)26-16-4-3-5-18(11-16)33-13-23(27)25-17-7-9-20-22(12-17)32-14-31-20/h3-12H,13-14H2,1-2H3,(H,25,27)(H,26,28)