N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]-N-piperonyl-benzamide Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C25H24N2O6S/c1-30-19-10-8-17(12-21(19)31-2)27-24(28)14-34-23-6-4-3-5-18(23)25(29)26-13-16-7-9-20-22(11-16)33-15-32-20/h3-12H,13-15H2,1-2H3,(H,26,29)(H,27,28)