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

Systemtic Name: 3-methylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-methylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(methylthio)-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-methylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-benzyl-N-(4-mesyl-1,3-benzothiazol-2-yl)-3-(methylthio)benzamide Formula: C23H20N2O3S3 MolecularWeight: 468.6115

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC(=C1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

InChI=1S/C23H20N2O3S3/c1-29-18-11-6-10-17(14-18)22(26)25(15-16-8-4-3-5-9-16)23-24-21-19(30-23)12-7-13-20(21)31(2,27)28/h3-14H,15H2,1-2H3