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

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(phenylthio)-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(phenylthio)-N-(2-pyridylmethyl)butyramide Formula: C25H25N3OS2 MolecularWeight: 447.6155

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=CC=C4

InChI

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