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

Systemtic Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)-N-(2-pyridylmethyl)butanamide CAS Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(p-tolylthio)-N-(2-pyridylmethyl)butyramide Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2S2/c1-18-9-12-21(13-10-18)32-16-6-8-23(30)29(17-20-7-4-5-15-27-20)26-28-24-22(31-3)14-11-19(2)25(24)33-26/h4-5,7,9-15H,6,8,16-17H2,1-3H3