2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(2-ethyl-6-methyl-phenyl)benzamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(2-ethyl-6-methyl-phenyl)benzamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(2-ethyl-6-methyl-phenyl)benzamide CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-N-(2-ethyl-6-methylphenyl)benzamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-N-(2-ethyl-6-methyl-phenyl)benzamide Formula: C24H22N2OS2 MolecularWeight: 418.57428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C24H22N2OS2/c1-3-17-11-8-9-16(2)22(17)26-23(27)19-12-5-4-10-18(19)15-28-24-25-20-13-6-7-14-21(20)29-24/h4-14H,3,15H2,1-2H3,(H,26,27)