N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfanyl)-N-(2-pyridylmethyl)propanamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(p-tolylthio)-N-(2-pyridylmethyl)propionamide Formula: C24H22ClN3OS2 MolecularWeight: 468.03398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=CC(=C4S3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=CC(=C4S3)Cl)C

InChI

InChI=1S/C24H22ClN3OS2/c1-16-6-9-19(10-7-16)30-14-12-21(29)28(15-18-5-3-4-13-26-18)24-27-22-17(2)8-11-20(25)23(22)31-24/h3-11,13H,12,14-15H2,1-2H3