1-cyclopentyl-3-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylamino]thiourea

Systemtic Name: 1-cyclopentyl-3-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylamino]thiourea Openeye Name: 1-cyclopentyl-3-[[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]thiourea CAS Name: 1-cyclopentyl-3-[[oxo-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]amino]thiourea IUPAC Name: 1-cyclopentyl-3-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]thiourea Traditional Name: 1-cyclopentyl-3-[[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]thiourea Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)NNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=S)NNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N6OS/c28-20(24-25-21(29)23-16-8-4-5-9-16)18-14-27(17-10-2-1-3-11-17)26-19(18)15-7-6-12-22-13-15/h1-3,6-7,10-14,16H,4-5,8-9H2,(H,24,28)(H2,23,25,29)