1-(4-butylphenyl)-3-[(1-methylpyrazol-4-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(1-methylpyrazol-4-yl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(1-methylpyrazole-4-carbonyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(1-methyl-4-pyrazolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(1-methylpyrazole-4-carbonyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(1-methylpyrazole-4-carbonyl)amino]thiourea Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CN(N=C2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CN(N=C2)C

InChI

InChI=1S/C16H21N5OS/c1-3-4-5-12-6-8-14(9-7-12)18-16(23)20-19-15(22)13-10-17-21(2)11-13/h6-11H,3-5H2,1-2H3,(H,19,22)(H2,18,20,23)