N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(3-pyridylmethyl)acetamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(phenylthio)-N-(3-pyridinylmethyl)acetamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(phenylthio)-N-(3-pyridylmethyl)acetamide Formula: C23H21N3OS2 MolecularWeight: 419.56234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CSC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CSC4=CC=CC=C4)C

InChI

InChI=1S/C23H21N3OS2/c1-16-11-17(2)22-20(12-16)25-23(29-22)26(14-18-7-6-10-24-13-18)21(27)15-28-19-8-4-3-5-9-19/h3-13H,14-15H2,1-2H3