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

Systemtic Name: 1-[[(2R)-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[[(2R)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-(o-tolyl)thiourea CAS Name: 1-[[(2R)-3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[[(2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[[(2R)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-(o-tolyl)thiourea Formula: C17H22BrN5OS MolecularWeight: 424.35848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C(C)CN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)[C@H](C)CN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C17H22BrN5OS/c1-10-7-5-6-8-14(10)19-17(25)21-20-16(24)11(2)9-23-13(4)15(18)12(3)22-23/h5-8,11H,9H2,1-4H3,(H,20,24)(H2,19,21,25)/t11-/m1/s1