N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(2-thiophen-2-ylethyl)butanamide

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(2-thiophen-2-ylethyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]butanamide CAS Name: 4-(benzenesulfonyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-thiophen-2-ylethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)butanamide Traditional Name: 4-besyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(2-thienyl)ethyl]butyramide Formula: C24H24N2O3S4 MolecularWeight: 516.71896

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O3S4/c1-30-19-11-12-21-22(17-19)32-24(25-21)26(14-13-18-7-5-15-31-18)23(27)10-6-16-33(28,29)20-8-3-2-4-9-20/h2-5,7-9,11-12,15,17H,6,10,13-14,16H2,1H3