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

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butanamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfanyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-(benzylthio)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-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=CN=CC=C3)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCSCC4=CC=CC=C4

InChI

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