1-(4-butylphenyl)-3-[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(4-hydroxy-1-phenyl-3-pyrazolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]thiourea Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=NN(C=C2O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=NN(C=C2O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-2-3-7-15-10-12-16(13-11-15)22-21(29)24-23-20(28)19-18(27)14-26(25-19)17-8-5-4-6-9-17/h4-6,8-14,27H,2-3,7H2,1H3,(H,23,28)(H2,22,24,29)