5-(1,3-benzothiazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pentanamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pentanamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pentanamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pentanamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pentanamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxybenzyl)valeramide Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)CCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)CCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H26N2O4S/c1-26-17-12-15(13-18(27-2)22(17)28-3)14-23-20(25)10-6-7-11-21-24-16-8-4-5-9-19(16)29-21/h4-5,8-9,12-13H,6-7,10-11,14H2,1-3H3,(H,23,25)