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

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-benzylsulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(benzylthio)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CN=CC=C3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CN=CC=C3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O3S2/c1-29-19-10-11-20(30-2)23-22(19)26-24(32-23)27(14-18-9-6-12-25-13-18)21(28)16-31-15-17-7-4-3-5-8-17/h3-13H,14-16H2,1-2H3