N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(2-thiophen-2-ylethyl)butanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(2-thiophen-2-ylethyl)butanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-[2-(2-thienyl)ethyl]butanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(phenylthio)-N-(2-thiophen-2-ylethyl)butanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(2-thiophen-2-ylethyl)butanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-4-(phenylthio)-N-[2-(2-thienyl)ethyl]butyramide Formula: C24H24N2O3S4 MolecularWeight: 516.71896

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)CCCSC4=CC=CC=C4

InChI

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