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

Systemtic Name: 1-(4-butylphenyl)-3-[[1-(phenylmethyl)pyrazol-4-yl]carbonylamino]thiourea Openeye Name: 1-[(1-benzylpyrazole-4-carbonyl)amino]-3-(4-butylphenyl)thiourea CAS Name: 1-(4-butylphenyl)-3-[[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]thiourea IUPAC Name: 1-[(1-benzylpyrazole-4-carbonyl)amino]-3-(4-butylphenyl)thiourea Traditional Name: 1-[(1-benzylpyrazole-4-carbonyl)amino]-3-(4-butylphenyl)thiourea Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N5OS/c1-2-3-7-17-10-12-20(13-11-17)24-22(29)26-25-21(28)19-14-23-27(16-19)15-18-8-5-4-6-9-18/h4-6,8-14,16H,2-3,7,15H2,1H3,(H,25,28)(H2,24,26,29)