3,5-bis[[4-(dimethylcarbamoylsulfanyl)phenyl]methylsulfanyl]benzoic acid

Systemtic Name: 3,5-bis[[4-(dimethylcarbamoylsulfanyl)phenyl]methylsulfanyl]benzoic acid Openeye Name: 3,5-bis[[4-(dimethylcarbamoylsulfanyl)phenyl]methylsulfanyl]benzoic acid CAS Name: 3,5-bis[[4-[[dimethylamino(oxo)methyl]thio]phenyl]methylthio]benzoic acid IUPAC Name: 3,5-bis[[4-(dimethylcarbamoylsulfanyl)phenyl]methylsulfanyl]benzoic acid Traditional Name: 3,5-bis[[4-(dimethylcarbamoylthio)benzyl]thio]benzoic acid Formula: C27H28N2O4S4 MolecularWeight: 572.78222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)SC1=CC=C(C=C1)CSC2=CC(=CC(=C2)C(=O)O)SCC3=CC=C(C=C3)SC(=O)N(C)C

Isomeric SMILES

CN(C)C(=O)SC1=CC=C(C=C1)CSC2=CC(=CC(=C2)C(=O)O)SCC3=CC=C(C=C3)SC(=O)N(C)C

InChI

InChI=1S/C27H28N2O4S4/c1-28(2)26(32)36-21-9-5-18(6-10-21)16-34-23-13-20(25(30)31)14-24(15-23)35-17-19-7-11-22(12-8-19)37-27(33)29(3)4/h5-15H,16-17H2,1-4H3,(H,30,31)