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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3OS2/c1-18-11-13-20(14-12-18)29-16-6-10-23(28)27(17-19-7-4-5-15-25-19)24-26-21-8-2-3-9-22(21)30-24/h2-5,7-9,11-15H,6,10,16-17H2,1H3