3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-(3,4,5-trimethoxybenzyl)propionamide Formula: C15H22N2O5S MolecularWeight: 342.41058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)CCSCC(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)CCSCC(=O)N

InChI

InChI=1S/C15H22N2O5S/c1-20-11-6-10(7-12(21-2)15(11)22-3)8-17-14(19)4-5-23-9-13(16)18/h6-7H,4-5,8-9H2,1-3H3,(H2,16,18)(H,17,19)