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

Systemtic Name: ethyl 3-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]-2-propyl-5-sulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 3-[[4-[2-[(E)-dimethylaminomethyleneamino]sulfonylphenyl]phenyl]methyl]-2-propyl-5-sulfanyl-imidazole-4-carboxylate CAS Name: 3-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]-5-mercapto-2-propyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]-2-propyl-5-sulfanylimidazole-4-carboxylate Traditional Name: 3-[4-[2-[(E)-dimethylaminomethyleneamino]sulfonylphenyl]benzyl]-5-mercapto-2-propyl-imidazole-4-carboxylic acid ethyl ester Formula: C25H30N4O4S2 MolecularWeight: 514.6601

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N=CN(C)C)C(=O)OCC)S

Isomeric SMILES

CCCC1=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/C25H30N4O4S2/c1-5-9-22-27-24(34)23(25(30)33-6-2)29(22)16-18-12-14-19(15-13-18)20-10-7-8-11-21(20)35(31,32)26-17-28(3)4/h7-8,10-15,17,34H,5-6,9,16H2,1-4H3/b26-17+