2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]acetamide CAS Name: 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[cyclopropyl-(2,5-dimethoxybenzyl)amino]acetamide Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN(CC(=O)NC2=CC=CC=C2SCC=C)C3CC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN(CC(=O)NC2=CC=CC=C2SCC=C)C3CC3

InChI

InChI=1S/C23H28N2O3S/c1-4-13-29-22-8-6-5-7-20(22)24-23(26)16-25(18-9-10-18)15-17-14-19(27-2)11-12-21(17)28-3/h4-8,11-12,14,18H,1,9-10,13,15-16H2,2-3H3,(H,24,26)