2-ethylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)benzamide

Systemtic Name: 2-ethylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-ethylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-ethylsulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-ethylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-benzyl-2-esyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C24H22N2O3S3 MolecularWeight: 482.63808

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C24H22N2O3S3/c1-3-32(28,29)21-15-8-7-12-18(21)23(27)26(16-17-10-5-4-6-11-17)24-25-22-19(30-2)13-9-14-20(22)31-24/h4-15H,3,16H2,1-2H3