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

Systemtic Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 3-isopropylsulfanyl-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-(propan-2-ylthio)-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 3-(isopropylthio)-N-(4-mesyl-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)SC1=CC=CC(=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

CC(C)SC1=CC=CC(=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

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