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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylthio)-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(4,6-dimethyl-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:

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=CC=C4)C

InChI

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