N-[4-[1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide

Systemtic Name: N-[4-[1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[4-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]cyclohexanecarboxamide CAS Name: N-[4-[[1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[4-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-methyl-ethyl]thio]phenyl]cyclohexanecarboxamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=CC=C(C=C3)NC(=O)C4CCCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=CC=C(C=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C27H32N4O3S/c1-18-24(27(34)31(30(18)3)22-12-8-5-9-13-22)29-25(32)19(2)35-23-16-14-21(15-17-23)28-26(33)20-10-6-4-7-11-20/h5,8-9,12-17,19-20H,4,6-7,10-11H2,1-3H3,(H,28,33)(H,29,32)