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

Systemtic Name: 2-(1-adamantyl)-N-[(1,3-dimethyl-5-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(1,3-dimethyl-5-oxo-2-phenyl-pyrazol-4-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(1,3-dimethyl-5-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(1,3-dimethyl-5-oxo-2-phenylpyrazol-4-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(5-keto-1,3-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoyl]acetamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C2=CC=CC=C2)C)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=O)N(N1C2=CC=CC=C2)C)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N4O2S/c1-15-21(22(30)27(2)28(15)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/h3-7,16-18H,8-14H2,1-2H3,(H2,25,26,29,31)