1-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)carbonylamino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)carbonylamino]-3-propan-2-yl-thiourea Openeye Name: 1-[(1-butyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]-3-isopropyl-thiourea CAS Name: 1-[[(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-oxomethyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[(1-butyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]-3-propan-2-ylthiourea Traditional Name: 1-[(1-butyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]-3-isopropyl-thiourea Formula: C13H22ClN5OS MolecularWeight: 331.86468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NNC(=S)NC(C)C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NNC(=S)NC(C)C)Cl

InChI

InChI=1S/C13H22ClN5OS/c1-5-6-7-19-11(14)10(9(4)18-19)12(20)16-17-13(21)15-8(2)3/h8H,5-7H2,1-4H3,(H,16,20)(H2,15,17,21)