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

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-thiophen-2-ylethyl)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(2-thienyl)ethyl]butyramide Formula: C24H23ClN2OS4 MolecularWeight: 519.16522

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N(CCC3=CC=CS3)C(=O)CCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CCC3=CC=CS3)C(=O)CCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H23ClN2OS4/c1-29-20-6-2-7-21-23(20)26-24(32-21)27(14-13-18-5-3-15-30-18)22(28)8-4-16-31-19-11-9-17(25)10-12-19/h2-3,5-7,9-12,15H,4,8,13-14,16H2,1H3