2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[(3,4-dimethoxyphenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-veratryl-nicotinamide Formula: C24H23N3O6S MolecularWeight: 481.52092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O6S/c1-30-18-7-5-15(10-20(18)31-2)12-26-23(29)17-4-3-9-25-24(17)34-13-22(28)27-16-6-8-19-21(11-16)33-14-32-19/h3-11H,12-14H2,1-2H3,(H,26,29)(H,27,28)