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

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfanyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-(benzylthio)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butyramide Formula: C26H27N3OS2 MolecularWeight: 461.64208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3OS2/c1-19-15-23-24(16-20(19)2)32-26(28-23)29(17-22-11-6-7-13-27-22)25(30)12-8-14-31-18-21-9-4-3-5-10-21/h3-7,9-11,13,15-16H,8,12,14,17-18H2,1-2H3