(phenylmethyl) N-[2-[[3-[[2-chloranyl-5-(hexadecanoylamino)phenyl]amino]-5-oxidanylidene-1-[2,3,4,5,6-pentakis(chloranyl)phenyl]-4H-pyrazol-4-yl]sulfanyl]phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[[3-[[2-chloranyl-5-(hexadecanoylamino)phenyl]amino]-5-oxidanylidene-1-[2,3,4,5,6-pentakis(chloranyl)phenyl]-4H-pyrazol-4-yl]sulfanyl]phenyl]carbamate Openeye Name: benzyl N-[2-[[3-[2-chloro-5-(hexadecanoylamino)anilino]-5-oxo-1-(2,3,4,5,6-pentachlorophenyl)-4H-pyrazol-4-yl]sulfanyl]phenyl]carbamate CAS Name: N-[2-[[3-[2-chloro-5-(1-oxohexadecylamino)anilino]-5-oxo-1-(2,3,4,5,6-pentachlorophenyl)-4H-pyrazol-4-yl]thio]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[[3-[2-chloro-5-(hexadecanoylamino)anilino]-5-oxo-1-(2,3,4,5,6-pentachlorophenyl)-4H-pyrazol-4-yl]sulfanyl]phenyl]carbamate Traditional Name: N-[2-[[3-(2-chloro-5-palmitamido-anilino)-5-keto-1-(2,3,4,5,6-pentachlorophenyl)-2-pyrazolin-4-yl]thio]phenyl]carbamic acid benzyl ester Formula: C45H49Cl6N5O4S MolecularWeight: 968.68466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)NC2=NN(C(=O)C2SC3=CC=CC=C3NC(=O)OCC4=CC=CC=C4)C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)NC2=NN(C(=O)C2SC3=CC=CC=C3NC(=O)OCC4=CC=CC=C4)C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)Cl

InChI

InChI=1S/C45H49Cl6N5O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-35(57)52-30-25-26-31(46)33(27-30)53-43-42(44(58)56(55-43)41-39(50)37(48)36(47)38(49)40(41)51)61-34-23-19-18-22-32(34)54-45(59)60-28-29-20-15-14-16-21-29/h14-16,18-23,25-27,42H,2-13,17,24,28H2,1H3,(H,52,57)(H,53,55)(H,54,59)