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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN5OS/c1-3-12-6-4-5-7-14(12)19-16(24)21-20-15(23)11(2)9-22-10-13(17)8-18-22/h4-8,10-11H,3,9H2,1-2H3,(H,20,23)(H2,19,21,24)/t11-/m1/s1