N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(2-pyridylmethyl)benzamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(methylthio)-N-(2-pyridinylmethyl)benzamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(methylthio)-N-(2-pyridylmethyl)benzamide Formula: C22H18ClN3OS2 MolecularWeight: 439.98082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC(=CC=C4)SC

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC(=CC=C4)SC

InChI

InChI=1S/C22H18ClN3OS2/c1-14-9-10-18(23)20-19(14)25-22(29-20)26(13-16-7-3-4-11-24-16)21(27)15-6-5-8-17(12-15)28-2/h3-12H,13H2,1-2H3