(1-methylcyclohexyl) N-[3-[[2-chloranyl-5-(tetradecanoylamino)phenyl]carbonylamino]-4-[2-(methoxymethylamino)phenyl]sulfanyl-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]pyrazol-4-yl]-N-[4-(diethylamino)phenyl]carbamate

Systemtic Name: (1-methylcyclohexyl) N-[3-[[2-chloranyl-5-(tetradecanoylamino)phenyl]carbonylamino]-4-[2-(methoxymethylamino)phenyl]sulfanyl-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]pyrazol-4-yl]-N-[4-(diethylamino)phenyl]carbamate Openeye Name: (1-methylcyclohexyl) N-[3-[[2-chloro-5-(tetradecanoylamino)benzoyl]amino]-4-[2-(methoxymethylamino)phenyl]sulfanyl-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]-N-[4-(diethylamino)phenyl]carbamate CAS Name: N-[3-[[[2-chloro-5-(1-oxotetradecylamino)phenyl]-oxomethyl]amino]-4-[[2-(methoxymethylamino)phenyl]thio]-5-oxo-1-(2,4,6-trichlorophenyl)-4-pyrazolyl]-N-[4-(diethylamino)phenyl]carbamic acid (1-methylcyclohexyl) ester IUPAC Name: (1-methylcyclohexyl) N-[3-[[2-chloro-5-(tetradecanoylamino)benzoyl]amino]-4-[2-(methoxymethylamino)phenyl]sulfanyl-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]-N-[4-(diethylamino)phenyl]carbamate Traditional Name: N-[3-[[2-chloro-5-(tetradecanoylamino)benzoyl]amino]-5-keto-4-[[2-(methoxymethylamino)phenyl]thio]-1-(2,4,6-trichlorophenyl)-2-pyrazolin-4-yl]-N-[4-(diethylamino)phenyl]carbamic acid (1-methylcyclohexyl) ester Formula: C56H71Cl4N7O6S MolecularWeight: 1112.08324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2=NN(C(=O)C2(N(C3=CC=C(C=C3)N(CC)CC)C(=O)OC4(CCCCC4)C)SC5=CC=CC=C5NCOC)C6=C(C=C(C=C6Cl)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2=NN(C(=O)C2(N(C3=CC=C(C=C3)N(CC)CC)C(=O)OC4(CCCCC4)C)SC5=CC=CC=C5NCOC)C6=C(C=C(C=C6Cl)Cl)Cl

InChI

InChI=1S/C56H71Cl4N7O6S/c1-6-9-10-11-12-13-14-15-16-17-19-26-49(68)62-40-27-32-44(58)43(37-40)51(69)63-52-56(74-48-25-21-20-24-47(48)61-38-72-5,53(70)67(64-52)50-45(59)35-39(57)36-46(50)60)66(54(71)73-55(4)33-22-18-23-34-55)42-30-28-41(29-31-42)65(7-2)8-3/h20-21,24-25,27-32,35-37,61H,6-19,22-23,26,33-34,38H2,1-5H3,(H,62,68)(H,63,64,69)