1-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-3-(2,4-dimethylphenyl)thiourea

Systemtic Name: 1-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-3-(2,4-dimethylphenyl)thiourea Openeye Name: 1-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-3-(2,4-dimethylphenyl)thiourea CAS Name: 1-[[3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-3-(2,4-dimethylphenyl)thiourea IUPAC Name: 1-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-3-(2,4-dimethylphenyl)thiourea Traditional Name: 1-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-3-(2,4-dimethylphenyl)thiourea Formula: C16H20BrN5OS MolecularWeight: 410.3319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NNC(=O)C(C)CN2C=C(C=N2)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NNC(=O)C(C)CN2C=C(C=N2)Br)C

InChI

InChI=1S/C16H20BrN5OS/c1-10-4-5-14(11(2)6-10)19-16(24)21-20-15(23)12(3)8-22-9-13(17)7-18-22/h4-7,9,12H,8H2,1-3H3,(H,20,23)(H2,19,21,24)