1-[[(2R)-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-(2-ethylphenyl)thiourea

Systemtic Name: 1-[[(2R)-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-(2-ethylphenyl)thiourea Openeye Name: 1-[[(2R)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-(2-ethylphenyl)thiourea CAS Name: 1-[[(2R)-3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-3-(2-ethylphenyl)thiourea IUPAC Name: 1-[[(2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-3-(2-ethylphenyl)thiourea Traditional Name: 1-[[(2R)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-(2-ethylphenyl)thiourea Formula: C18H24BrN5OS MolecularWeight: 438.38506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NNC(=O)C(C)CN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NNC(=O)[C@H](C)CN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C18H24BrN5OS/c1-5-14-8-6-7-9-15(14)20-18(26)22-21-17(25)11(2)10-24-13(4)16(19)12(3)23-24/h6-9,11H,5,10H2,1-4H3,(H,21,25)(H2,20,22,26)/t11-/m1/s1