3-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)-N-[2-(2-thienyl)ethyl]propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: 3-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(2-thienyl)ethyl]-3-tosyl-propionamide Formula: C24H24N2O3S4 MolecularWeight: 516.71896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C24H24N2O3S4/c1-17-5-8-20(9-6-17)33(28,29)15-12-23(27)26(13-11-18-4-3-14-31-18)24-25-21-10-7-19(30-2)16-22(21)32-24/h3-10,14,16H,11-13,15H2,1-2H3