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

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(3-pyridylmethyl)butanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylthio)-N-(3-pyridinylmethyl)butanamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(pyridin-3-ylmethyl)butanamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylthio)-N-(3-pyridylmethyl)butyramide Formula: C25H25N3OS2 MolecularWeight: 447.6155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCSC4=CC=CC=C4

InChI

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