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

Systemtic Name: 3-methylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 3-methylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]benzamide CAS Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(methylthio)-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 3-methylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: N-(4-mesyl-1,3-benzothiazol-2-yl)-3-(methylthio)-N-[2-(2-thienyl)ethyl]benzamide Formula: C22H20N2O3S4 MolecularWeight: 488.6658

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC(=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

InChI=1S/C22H20N2O3S4/c1-28-17-7-3-6-15(14-17)21(25)24(12-11-16-8-5-13-29-16)22-23-20-18(30-22)9-4-10-19(20)31(2,26)27/h3-10,13-14H,11-12H2,1-2H3