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

Systemtic Name: 4-[(4-butan-2-ylphenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: 1-methyl-4-[(4-sec-butylphenyl)carbamothioylamino]pyrazole-3-carboxamide CAS Name: 4-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[(4-butan-2-ylphenyl)carbamothioylamino]-1-methylpyrazole-3-carboxamide Traditional Name: 1-methyl-4-[(4-sec-butylphenyl)thiocarbamoylamino]pyrazole-3-carboxamide Formula: C16H21N5OS MolecularWeight: 331.43584

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5OS/c1-4-10(2)11-5-7-12(8-6-11)18-16(23)19-13-9-21(3)20-14(13)15(17)22/h5-10H,4H2,1-3H3,(H2,17,22)(H2,18,19,23)