[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(2-methoxypropan-2-yl)phenyl]-4,5-dimethyl-imidazol-1-yl]-[4-[1,1-bis(oxidanylidene)thian-4-yl]piperazin-1-yl]methanone

Systemtic Name: [(4S,5R)-4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(2-methoxypropan-2-yl)phenyl]-4,5-dimethyl-imidazol-1-yl]-[4-[1,1-bis(oxidanylidene)thian-4-yl]piperazin-1-yl]methanone Openeye Name: [(4S,5R)-4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(1-methoxy-1-methyl-ethyl)phenyl]-4,5-dimethyl-imidazol-1-yl]-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone CAS Name: [(4S,5R)-4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(2-methoxypropan-2-yl)phenyl]-4,5-dimethyl-1-imidazolyl]-[4-(1,1-dioxo-4-thianyl)-1-piperazinyl]methanone IUPAC Name: [(4S,5R)-4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(2-methoxypropan-2-yl)phenyl]-4,5-dimethylimidazol-1-yl]-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone Traditional Name: [(4S,5R)-4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(1-methoxy-1-methyl-ethyl)phenyl]-4,5-dimethyl-2-imidazolin-1-yl]-[4-(1,1-diketothian-4-yl)piperazino]methanone Formula: C39H48Cl2N4O5S MolecularWeight: 755.79322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C)(C)OC)C2=NC(C(N2C(=O)N3CCN(CC3)C4CCS(=O)(=O)CC4)(C)C5=CC=C(C=C5)Cl)(C)C6=CC=C(C=C6)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C)(C)OC)C2=N[C@@]([C@@](N2C(=O)N3CCN(CC3)C4CCS(=O)(=O)CC4)(C)C5=CC=C(C=C5)Cl)(C)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C39H48Cl2N4O5S/c1-7-50-34-26-29(37(2,3)49-6)12-17-33(34)35-42-38(4,27-8-13-30(40)14-9-27)39(5,28-10-15-31(41)16-11-28)45(35)36(46)44-22-20-43(21-23-44)32-18-24-51(47,48)25-19-32/h8-17,26,32H,7,18-25H2,1-6H3/t38-,39+/m0/s1