1-[(1,3-diphenylpyrazol-4-yl)carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[(1,3-diphenylpyrazol-4-yl)carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(1,3-diphenylpyrazole-4-carbonyl)amino]-3-pentyl-thiourea CAS Name: 1-[[(1,3-diphenyl-4-pyrazolyl)-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[(1,3-diphenylpyrazole-4-carbonyl)amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(1,3-diphenylpyrazole-4-carbonyl)amino]thiourea Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

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