N-[[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[3-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C30H33N5O3S MolecularWeight: 543.67972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H33N5O3S/c1-18-25(27(37)35(34(18)2)24-9-4-3-5-10-24)32-26(36)22-7-6-8-23(14-22)31-29(39)33-28(38)30-15-19-11-20(16-30)13-21(12-19)17-30/h3-10,14,19-21H,11-13,15-17H2,1-2H3,(H,32,36)(H2,31,33,38,39)