1-[[4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonylamino]-3-(4-ethylphenyl)thiourea

Systemtic Name: 1-[[4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonylamino]-3-(4-ethylphenyl)thiourea Openeye Name: 1-[[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]-3-(4-ethylphenyl)thiourea CAS Name: 1-[[[4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-3-(4-ethylphenyl)thiourea IUPAC Name: 1-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-3-(4-ethylphenyl)thiourea Traditional Name: 1-[[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]-3-(4-ethylphenyl)thiourea Formula: C22H24BrN5OS MolecularWeight: 486.42786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C22H24BrN5OS/c1-4-16-7-11-19(12-8-16)24-22(30)26-25-21(29)18-9-5-17(6-10-18)13-28-15(3)20(23)14(2)27-28/h5-12H,4,13H2,1-3H3,(H,25,29)(H2,24,26,30)