N-[(2S,3S)-1-[[2,3-bis(chloranyl)phenyl]methyl-[(6-methoxypyridin-3-yl)carbamothioyl]amino]-3-methyl-pentan-2-yl]-2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethanamide

Systemtic Name: N-[(2S,3S)-1-[[2,3-bis(chloranyl)phenyl]methyl-[(6-methoxypyridin-3-yl)carbamothioyl]amino]-3-methyl-pentan-2-yl]-2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethanamide Openeye Name: 2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[(1S,2S)-1-[[(2,3-dichlorophenyl)methyl-[(6-methoxy-3-pyridyl)carbamothioyl]amino]methyl]-2-methyl-butyl]acetamide CAS Name: 2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]-N-[(2S,3S)-1-[(2,3-dichlorophenyl)methyl-[[(6-methoxy-3-pyridinyl)amino]-sulfanylidenemethyl]amino]-3-methylpentan-2-yl]acetamide IUPAC Name: 2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[(2S,3S)-1-[(2,3-dichlorophenyl)methyl-[(6-methoxypyridin-3-yl)carbamothioyl]amino]-3-methylpentan-2-yl]acetamide Traditional Name: 2-[3-(4-cyanobenzyl)imidazol-4-yl]-N-[(1S,2S)-1-[[(2,3-dichlorobenzyl)-[(6-methoxy-3-pyridyl)thiocarbamoyl]amino]methyl]-2-methyl-butyl]acetamide Formula: C33H35Cl2N7O2S MolecularWeight: 664.6477

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CN(CC1=C(C(=CC=C1)Cl)Cl)C(=S)NC2=CN=C(C=C2)OC)NC(=O)CC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC[C@H](C)[C@@H](CN(CC1=C(C(=CC=C1)Cl)Cl)C(=S)NC2=CN=C(C=C2)OC)NC(=O)CC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C33H35Cl2N7O2S/c1-4-22(2)29(40-30(43)14-27-17-37-21-42(27)18-24-10-8-23(15-36)9-11-24)20-41(19-25-6-5-7-28(34)32(25)35)33(45)39-26-12-13-31(44-3)38-16-26/h5-13,16-17,21-22,29H,4,14,18-20H2,1-3H3,(H,39,45)(H,40,43)/t22-,29+/m0/s1