2-(1-adamantyl)-N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]ethanamide; ethanedioic acid

Systemtic Name: 2-(1-adamantyl)-N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]ethanamide; ethanedioic acid Openeye Name: 2-(1-adamantyl)-N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioyl]acetamide; oxalic acid CAS Name: 2-(1-adamantyl)-N-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]acetamide; oxalic acid IUPAC Name: 2-(1-adamantyl)-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]acetamide; oxalic acid Traditional Name: 2-(1-adamantyl)-N-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoyl]acetamide; oxalic acid Formula: C26H32N4O6S MolecularWeight: 528.62048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H30N4O2S.C2H2O4/c1-15-21(22(30)28(27(15)2)19-6-4-3-5-7-19)26-23(31)25-20(29)14-24-11-16-8-17(12-24)10-18(9-16)13-24;3-1(4)2(5)6/h3-7,16-18H,8-14H2,1-2H3,(H2,25,26,29,31);(H,3,4)(H,5,6)