propyl 2-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: propyl 2-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 2-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[[3-(1-adamantyl)-1-phenylpyrazole-4-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C32H38N4O4S MolecularWeight: 574.73352

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C32H38N4O4S/c1-5-11-40-31(39)25-19(2)26(30(38)35(3)4)41-29(25)33-28(37)24-18-36(23-9-7-6-8-10-23)34-27(24)32-15-20-12-21(16-32)14-22(13-20)17-32/h6-10,18,20-22H,5,11-17H2,1-4H3,(H,33,37)