1-(4-butylphenyl)-3-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetyl]amino]thiourea Formula: C22H33N5OS MolecularWeight: 415.59532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CC2=C(N(N=C2C)CC(C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CC2=C(N(N=C2C)CC(C)C)C

InChI

InChI=1S/C22H33N5OS/c1-6-7-8-18-9-11-19(12-10-18)23-22(29)25-24-21(28)13-20-16(4)26-27(17(20)5)14-15(2)3/h9-12,15H,6-8,13-14H2,1-5H3,(H,24,28)(H2,23,25,29)