N-(2-diethylaminoethylcarbamothioyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(2-diethylaminoethylcarbamothioyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(2-diethylaminoethylcarbamothioyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[(2-diethylaminoethylamino)-sulfanylidenemethyl]-3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(2-diethylaminoethylcarbamothioyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(2-diethylaminoethylthiocarbamoyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=S)NC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCNC(=S)NC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C24H29N5O2S/c1-4-28(5-2)16-15-25-24(32)26-23(30)21-17-29(19-9-7-6-8-10-19)27-22(21)18-11-13-20(31-3)14-12-18/h6-14,17H,4-5,15-16H2,1-3H3,(H2,25,26,30,32)