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

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(2-thiophen-2-ylethyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]butanamide CAS Name: 4-(benzenesulfonyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-thiophen-2-ylethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)butanamide Traditional Name: 4-besyl-N-[4-(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=CC=CC2=C1N=C(S2)N(CCC3=CC=CS3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CCC3=CC=CS3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

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