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

Systemtic Name: butyl 2-[4-[4-[(2,4-dimethylphenyl)carbamoyl]-1-pentyl-imidazol-2-yl]phenyl]sulfanyl-2-methyl-propanoate Openeye Name: butyl 2-[4-[4-[(2,4-dimethylphenyl)carbamoyl]-1-pentyl-imidazol-2-yl]phenyl]sulfanyl-2-methyl-propanoate CAS Name: 2-[[4-[4-[(2,4-dimethylanilino)-oxomethyl]-1-pentyl-2-imidazolyl]phenyl]thio]-2-methylpropanoic acid butyl ester IUPAC Name: butyl 2-[4-[4-[(2,4-dimethylphenyl)carbamoyl]-1-pentylimidazol-2-yl]phenyl]sulfanyl-2-methylpropanoate Traditional Name: 2-[[4-[1-amyl-4-[(2,4-dimethylphenyl)carbamoyl]imidazol-2-yl]phenyl]thio]-2-methyl-propionic acid butyl ester Formula: C31H41N3O3S MolecularWeight: 535.74054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(N=C1C2=CC=C(C=C2)SC(C)(C)C(=O)OCCCC)C(=O)NC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCCCN1C=C(N=C1C2=CC=C(C=C2)SC(C)(C)C(=O)OCCCC)C(=O)NC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C31H41N3O3S/c1-7-9-11-18-34-21-27(29(35)33-26-17-12-22(3)20-23(26)4)32-28(34)24-13-15-25(16-14-24)38-31(5,6)30(36)37-19-10-8-2/h12-17,20-21H,7-11,18-19H2,1-6H3,(H,33,35)