sodium 2-[4-[4-[(2,4-dimethylphenyl)carbamoyl]-1-pentyl-imidazol-2-yl]phenyl]sulfanyl-2-methyl-propanoate

Systemtic Name: sodium 2-[4-[4-[(2,4-dimethylphenyl)carbamoyl]-1-pentyl-imidazol-2-yl]phenyl]sulfanyl-2-methyl-propanoate Openeye Name: sodium 2-[4-[4-[(2,4-dimethylphenyl)carbamoyl]-1-pentyl-imidazol-2-yl]phenyl]sulfanyl-2-methyl-propanoate CAS Name: sodium 2-[[4-[4-[(2,4-dimethylanilino)-oxomethyl]-1-pentyl-2-imidazolyl]phenyl]thio]-2-methylpropanoate IUPAC Name: sodium 2-[4-[4-[(2,4-dimethylphenyl)carbamoyl]-1-pentylimidazol-2-yl]phenyl]sulfanyl-2-methylpropanoate Traditional Name: sodium 2-[[4-[1-amyl-4-[(2,4-dimethylphenyl)carbamoyl]imidazol-2-yl]phenyl]thio]-2-methyl-propionate Formula: C27H32N3NaO3S MolecularWeight: 501.61605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(N=C1C2=CC=C(C=C2)SC(C)(C)C(=O)[O-])C(=O)NC3=C(C=C(C=C3)C)C.[Na+]

Isomeric SMILES

CCCCCN1C=C(N=C1C2=CC=C(C=C2)SC(C)(C)C(=O)[O-])C(=O)NC3=C(C=C(C=C3)C)C.[Na+]

InChI

InChI=1S/C27H33N3O3S.Na/c1-6-7-8-15-30-17-23(25(31)29-22-14-9-18(2)16-19(22)3)28-24(30)20-10-12-21(13-11-20)34-27(4,5)26(32)33;/h9-14,16-17H,6-8,15H2,1-5H3,(H,29,31)(H,32,33);/q;+1/p-1