N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(p-tolylsulfanyl)-N-(2-pyridylmethyl)acetamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)thio]-N-(2-pyridinylmethyl)acetamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(p-tolylthio)-N-(2-pyridylmethyl)acetamide Formula: C23H20ClN3OS2 MolecularWeight: 454.0074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=CC(=C4S3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=CC(=C4S3)Cl)C

InChI

InChI=1S/C23H20ClN3OS2/c1-15-6-9-18(10-7-15)29-14-20(28)27(13-17-5-3-4-12-25-17)23-26-21-16(2)8-11-19(24)22(21)30-23/h3-12H,13-14H2,1-2H3