N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N(C)CC2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N(C)CC2COC3=CC=CC=C3O2

InChI

InChI=1S/C22H26N2O4S/c1-15-8-10-17(11-9-15)23-21(25)14-29-16(2)22(26)24(3)12-18-13-27-19-6-4-5-7-20(19)28-18/h4-11,16,18H,12-14H2,1-3H3,(H,23,25)