4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[[(4-chlorophenyl)thio]methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H17ClN2OS2 MolecularWeight: 424.96618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN2OS2/c1-14-3-2-4-19-20(14)24-22(28-19)25-21(26)16-7-5-15(6-8-16)13-27-18-11-9-17(23)10-12-18/h2-12H,13H2,1H3,(H,24,25,26)