3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 3-methyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 3-methyl-N-[4-(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=CC=C4SC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=CC=C4SC

InChI

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