N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-(benzylthio)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butyramide Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3S2/c1-31-21-13-14-22(32-2)25-24(21)28-26(34-25)29(17-20-11-6-7-15-27-20)23(30)12-8-16-33-18-19-9-4-3-5-10-19/h3-7,9-11,13-15H,8,12,16-18H2,1-2H3