1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-1-(3-methylphenyl)thiourea

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-1-(3-methylphenyl)thiourea Openeye Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-1-(m-tolyl)thiourea CAS Name: 1-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-1-(3-methylphenyl)thiourea IUPAC Name: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-(3-methylphenyl)thiourea Traditional Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-1-(m-tolyl)thiourea Formula: C16H20BrN5OS MolecularWeight: 410.3319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C(=S)N)NC(=O)CCN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C(=S)N)NC(=O)CCN2C(=C(C(=N2)C)Br)C

InChI

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