3-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 3-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 3-methyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 3-methyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(3-pyridylmethyl)benzamide Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C22H19N3OS2/c1-15-5-3-7-17(11-15)21(26)25(14-16-6-4-10-23-13-16)22-24-19-9-8-18(27-2)12-20(19)28-22/h3-13H,14H2,1-2H3