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

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 4-isopropylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]benzamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-4-propan-2-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 4-isopropylsulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(2-thienyl)ethyl]benzamide Formula: C24H24N2O3S4 MolecularWeight: 516.71896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C24H24N2O3S4/c1-16(2)33(28,29)19-11-9-17(10-12-19)23(27)26(14-13-18-6-5-15-31-18)24-25-22-20(30-3)7-4-8-21(22)32-24/h4-12,15-16H,13-14H2,1-3H3