N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(p-tolylsulfanyl)-N-(3-pyridylmethyl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]-N-(3-pyridinylmethyl)propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-(p-tolylthio)-N-(3-pyridylmethyl)propionamide Formula: C23H21N3OS2 MolecularWeight: 419.56234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CC2=CN=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CC2=CN=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H21N3OS2/c1-17-8-10-19(11-9-17)28-14-12-22(27)26(16-18-5-4-13-24-15-18)23-25-20-6-2-3-7-21(20)29-23/h2-11,13,15H,12,14,16H2,1H3