3-(3,4-dimethoxyphenyl)-N-morpholin-4-ylcarbothioyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-morpholin-4-ylcarbothioyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-(morpholine-4-carbothioyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[4-morpholinyl(sulfanylidene)methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-(morpholine-4-carbothioyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-(morpholine-4-carbothioyl)-1-phenyl-pyrazole-4-carboxamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC(=S)N3CCOCC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC(=S)N3CCOCC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H24N4O4S/c1-29-19-9-8-16(14-20(19)30-2)21-18(15-27(25-21)17-6-4-3-5-7-17)22(28)24-23(32)26-10-12-31-13-11-26/h3-9,14-15H,10-13H2,1-2H3,(H,24,28,32)