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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)-N-(2-pyridylmethyl)butanamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(p-tolylthio)-N-(2-pyridylmethyl)butyramide Formula: C25H25N3OS2 MolecularWeight: 447.6155

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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(C=CC=C4S3)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3OS2/c1-18-11-13-21(14-12-18)30-16-6-10-23(29)28(17-20-8-3-4-15-26-20)25-27-24-19(2)7-5-9-22(24)31-25/h3-5,7-9,11-15H,6,10,16-17H2,1-2H3