N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-benzylsulfanyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(benzylthio)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide Formula: C24H23N3OS2 MolecularWeight: 433.58892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CSCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CSCC4=CC=CC=C4)C

InChI

InChI=1S/C24H23N3OS2/c1-17-11-18(2)23-21(12-17)30-24(26-23)27(14-20-9-6-10-25-13-20)22(28)16-29-15-19-7-4-3-5-8-19/h3-13H,14-16H2,1-2H3