3-[ethyl-(4-phenylphenyl)carbamoyl]-6-sulfanyl-hexanoic acid

Systemtic Name: 3-[ethyl-(4-phenylphenyl)carbamoyl]-6-sulfanyl-hexanoic acid Openeye Name: 3-[ethyl-(4-phenylphenyl)carbamoyl]-6-sulfanyl-hexanoic acid CAS Name: 3-[(N-ethyl-4-phenylanilino)-oxomethyl]-6-mercaptohexanoic acid IUPAC Name: 3-[ethyl-(4-phenylphenyl)carbamoyl]-6-sulfanylhexanoic acid Traditional Name: 3-[ethyl-(4-phenylphenyl)carbamoyl]-6-mercapto-hexanoic acid Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C(CCCS)CC(=O)O

Isomeric SMILES

CCN(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C(CCCS)CC(=O)O

InChI

InChI=1S/C21H25NO3S/c1-2-22(21(25)18(9-6-14-26)15-20(23)24)19-12-10-17(11-13-19)16-7-4-3-5-8-16/h3-5,7-8,10-13,18,26H,2,6,9,14-15H2,1H3,(H,23,24)