4-[(4-butan-2-ylphenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(4-butan-2-ylphenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide Openeye Name: 1-ethyl-4-[(4-sec-butylphenyl)carbamothioylamino]pyrazole-3-carboxamide CAS Name: 4-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[(4-butan-2-ylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide Traditional Name: 1-ethyl-4-[(4-sec-butylphenyl)thiocarbamoylamino]pyrazole-3-carboxamide Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CN(N=C2C(=O)N)CC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CN(N=C2C(=O)N)CC

InChI

InChI=1S/C17H23N5OS/c1-4-11(3)12-6-8-13(9-7-12)19-17(24)20-14-10-22(5-2)21-15(14)16(18)23/h6-11H,4-5H2,1-3H3,(H2,18,23)(H2,19,20,24)