1-[[(2R)-3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[[(2R)-3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[[(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-3-(o-tolyl)thiourea CAS Name: 1-[[(2R)-3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[[(2R)-3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[[(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-3-(o-tolyl)thiourea Formula: C15H18BrN5OS MolecularWeight: 396.30532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrN5OS/c1-10-5-3-4-6-13(10)18-15(23)20-19-14(22)11(2)8-21-9-12(16)7-17-21/h3-7,9,11H,8H2,1-2H3,(H,19,22)(H2,18,20,23)/t11-/m1/s1