ethyl 2-butyl-3-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]-5-sulfanyl-imidazole-4-carboxylate

Systemtic Name: ethyl 2-butyl-3-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]-5-sulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[4-[2-[(E)-dimethylaminomethyleneamino]sulfonylphenyl]phenyl]methyl]-5-sulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]-5-mercapto-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]-5-sulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-[2-[(E)-dimethylaminomethyleneamino]sulfonylphenyl]benzyl]-5-mercapto-imidazole-4-carboxylic acid ethyl ester Formula: C26H32N4O4S2 MolecularWeight: 528.68668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N=CN(C)C)C(=O)OCC)S

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)/N=C/N(C)C)C(=O)OCC)S

InChI

InChI=1S/C26H32N4O4S2/c1-5-7-12-23-28-25(35)24(26(31)34-6-2)30(23)17-19-13-15-20(16-14-19)21-10-8-9-11-22(21)36(32,33)27-18-29(3)4/h8-11,13-16,18,35H,5-7,12,17H2,1-4H3/b27-18+