3-azanyl-N-[(3,4-dimethoxyphenyl)methyl]-3-sulfanylidene-propanamide

Systemtic Name: 3-azanyl-N-[(3,4-dimethoxyphenyl)methyl]-3-sulfanylidene-propanamide Openeye Name: 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-thioxo-propanamide CAS Name: 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-sulfanylidenepropanamide IUPAC Name: 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-sulfanylidenepropanamide Traditional Name: 3-amino-3-thioxo-N-veratryl-propionamide Formula: C12H16N2O3S MolecularWeight: 268.33204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CC(=S)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CC(=S)N)OC

InChI

InChI=1S/C12H16N2O3S/c1-16-9-4-3-8(5-10(9)17-2)7-14-12(15)6-11(13)18/h3-5H,6-7H2,1-2H3,(H2,13,18)(H,14,15)