4-(diethylcarbamoylsulfanyl)-4-(4-phenylphenyl)butanoic acid

Systemtic Name: 4-(diethylcarbamoylsulfanyl)-4-(4-phenylphenyl)butanoic acid Openeye Name: 4-(diethylcarbamoylsulfanyl)-4-(4-phenylphenyl)butanoic acid CAS Name: 4-[[diethylamino(oxo)methyl]thio]-4-(4-phenylphenyl)butanoic acid IUPAC Name: 4-(diethylcarbamoylsulfanyl)-4-(4-phenylphenyl)butanoic acid Traditional Name: 4-(diethylcarbamoylthio)-4-(4-phenylphenyl)butyric acid Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)SC(CCC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(=O)SC(CCC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO3S/c1-3-22(4-2)21(25)26-19(14-15-20(23)24)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3,(H,23,24)