4-[(3,5-dimethoxyphenyl)carbonylcarbamothioylamino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(3,5-dimethoxyphenyl)carbonylcarbamothioylamino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide Openeye Name: 4-[(3,5-dimethoxybenzoyl)carbamothioylamino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide CAS Name: 4-[[[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-ethyl-N-phenyl-3-pyrazolecarboxamide IUPAC Name: 4-[(3,5-dimethoxybenzoyl)carbamothioylamino]-1-ethyl-N-phenylpyrazole-3-carboxamide Traditional Name: 4-[(3,5-dimethoxybenzoyl)thiocarbamoylamino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C22H23N5O4S/c1-4-27-13-18(19(26-27)21(29)23-15-8-6-5-7-9-15)24-22(32)25-20(28)14-10-16(30-2)12-17(11-14)31-3/h5-13H,4H2,1-3H3,(H,23,29)(H2,24,25,28,32)