2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[1-[(4-methoxyphenyl)carbamothioyl-[(1-oxidanidylpyridin-1-ium-2-yl)methyl]amino]-2-methyl-butan-2-yl]ethanamide

Systemtic Name: 2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[1-[(4-methoxyphenyl)carbamothioyl-[(1-oxidanidylpyridin-1-ium-2-yl)methyl]amino]-2-methyl-butan-2-yl]ethanamide Openeye Name: 2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[1-[[(4-methoxyphenyl)carbamothioyl-[(1-oxidopyridin-1-ium-2-yl)methyl]amino]methyl]-1-methyl-propyl]acetamide CAS Name: 2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]-N-[1-[[(4-methoxyanilino)-sulfanylidenemethyl]-[(1-oxido-2-pyridin-1-iumyl)methyl]amino]-2-methylbutan-2-yl]acetamide IUPAC Name: 2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[1-[(4-methoxyphenyl)carbamothioyl-[(1-oxidopyridin-1-ium-2-yl)methyl]amino]-2-methylbutan-2-yl]acetamide Traditional Name: 2-[3-(4-cyanobenzyl)imidazol-4-yl]-N-[1-[[(4-methoxyphenyl)thiocarbamoyl-[(1-oxidopyridin-1-ium-2-yl)methyl]amino]methyl]-1-methyl-propyl]acetamide Formula: C32H35N7O3S MolecularWeight: 597.7304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CN(CC1=CC=CC=[N+]1[O-])C(=S)NC2=CC=C(C=C2)OC)NC(=O)CC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCC(C)(CN(CC1=CC=CC=[N+]1[O-])C(=S)NC2=CC=C(C=C2)OC)NC(=O)CC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C32H35N7O3S/c1-4-32(2,36-30(40)17-28-19-34-23-38(28)20-25-10-8-24(18-33)9-11-25)22-37(21-27-7-5-6-16-39(27)41)31(43)35-26-12-14-29(42-3)15-13-26/h5-16,19,23H,4,17,20-22H2,1-3H3,(H,35,43)(H,36,40)