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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfanyl)-N-(2-pyridylmethyl)propanamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(p-tolylthio)-N-(2-pyridylmethyl)propionamide Formula: C24H23N3OS2 MolecularWeight: 433.58892

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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)C

Isomeric SMILES

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

InChI

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