3-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide

Systemtic Name: 3-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 3-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(methylthio)-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 3-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: N-(6-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=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC(=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

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