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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: N-ethyl-2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-piperonyl-propionamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C(C)SCC(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C(C)SCC(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C22H26N2O4S/c1-4-24(12-17-7-10-19-20(11-17)28-14-27-19)22(26)16(3)29-13-21(25)23-18-8-5-15(2)6-9-18/h5-11,16H,4,12-14H2,1-3H3,(H,23,25)