1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetyl]amino]thiourea CAS Name: 1-[[2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxoethyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetyl]amino]thiourea Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CC2=C(N(N=C2C)CC(C)C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CC2=C(N(N=C2C)CC(C)C)C)C

InChI

InChI=1S/C21H31N5OS/c1-7-17-10-8-9-14(4)20(17)22-21(28)24-23-19(27)11-18-15(5)25-26(16(18)6)12-13(2)3/h8-10,13H,7,11-12H2,1-6H3,(H,23,27)(H2,22,24,28)