ethyl 2-butyl-1-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]-5-phenylsulfanyl-imidazole-4-carboxylate

Systemtic Name: ethyl 2-butyl-1-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]-5-phenylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-1-[[4-[2-[(E)-dimethylaminomethyleneamino]sulfonylphenyl]phenyl]methyl]-5-phenylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-1-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]-5-(phenylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-1-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]-5-phenylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-1-[4-[2-[(E)-dimethylaminomethyleneamino]sulfonylphenyl]benzyl]-5-(phenylthio)imidazole-4-carboxylic acid ethyl ester Formula: C32H36N4O4S2 MolecularWeight: 604.78264

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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)SC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)/N=C/N(C)C)SC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C32H36N4O4S2/c1-5-7-17-29-34-30(32(37)40-6-2)31(41-26-13-9-8-10-14-26)36(29)22-24-18-20-25(21-19-24)27-15-11-12-16-28(27)42(38,39)33-23-35(3)4/h8-16,18-21,23H,5-7,17,22H2,1-4H3/b33-23+