N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)-N-(2-pyridylmethyl)butanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(p-tolylthio)-N-(2-pyridylmethyl)butyramide Formula: C26H27N3OS2 MolecularWeight: 461.64208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C(=C4)C)C

InChI

InChI=1S/C26H27N3OS2/c1-18-9-11-22(12-10-18)31-14-6-8-25(30)29(17-21-7-4-5-13-27-21)26-28-23-15-19(2)20(3)16-24(23)32-26/h4-5,7,9-13,15-16H,6,8,14,17H2,1-3H3