N-[(3,4-dimethoxyphenyl)methyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-veratryl-propionamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H26N2O4S/c1-14-5-8-17(9-6-14)23-20(24)13-28-15(2)21(25)22-12-16-7-10-18(26-3)19(11-16)27-4/h5-11,15H,12-13H2,1-4H3,(H,22,25)(H,23,24)