N-(6-methyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-benzylsulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(benzylthio)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide Formula: C23H21N3OS2 MolecularWeight: 419.56234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3OS2/c1-17-9-10-20-21(12-17)29-23(25-20)26(14-19-8-5-11-24-13-19)22(27)16-28-15-18-6-3-2-4-7-18/h2-13H,14-16H2,1H3