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

Systemtic Name: propyl 2-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-5-aminocarbonyl-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 2-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[[3-(1-adamantyl)-1-phenylpyrazole-4-carbonyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C30H34N4O4S MolecularWeight: 546.68036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H34N4O4S/c1-3-9-38-29(37)23-17(2)24(26(31)35)39-28(23)32-27(36)22-16-34(21-7-5-4-6-8-21)33-25(22)30-13-18-10-19(14-30)12-20(11-18)15-30/h4-8,16,18-20H,3,9-15H2,1-2H3,(H2,31,35)(H,32,36)