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

Systemtic Name: 1-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)carbonylamino]-3-(4-butylphenyl)thiourea Openeye Name: 1-[(1-butyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]-3-(4-butylphenyl)thiourea CAS Name: 1-[[(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-oxomethyl]amino]-3-(4-butylphenyl)thiourea IUPAC Name: 1-[(1-butyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]-3-(4-butylphenyl)thiourea Traditional Name: 1-[(1-butyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]-3-(4-butylphenyl)thiourea Formula: C20H28ClN5OS MolecularWeight: 421.98722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(N(N=C2C)CCCC)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(N(N=C2C)CCCC)Cl

InChI

InChI=1S/C20H28ClN5OS/c1-4-6-8-15-9-11-16(12-10-15)22-20(28)24-23-19(27)17-14(3)25-26(18(17)21)13-7-5-2/h9-12H,4-8,13H2,1-3H3,(H,23,27)(H2,22,24,28)