N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-2-ylmethyl)butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSCC4=CC=CC=C4

InChI

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