3-(1,3-benzothiazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-veratryl-propionamide Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C19H20N2O3S/c1-23-15-8-7-13(11-16(15)24-2)12-20-18(22)9-10-19-21-14-5-3-4-6-17(14)25-19/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)