N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)acetamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-benzylsulfanyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-(benzylthio)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)acetamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S2/c1-28-19-10-11-21-20(13-19)25-23(30-21)26(14-18-9-5-6-12-24-18)22(27)16-29-15-17-7-3-2-4-8-17/h2-13H,14-16H2,1H3