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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NNC(=S)NC(C)C3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NNC(=S)NC(C)C3=CC=CC=C3)C)Br

InChI

InChI=1S/C22H24BrN5OS/c1-14(18-7-5-4-6-8-18)24-22(30)26-25-21(29)19-11-9-17(10-12-19)13-28-16(3)20(23)15(2)27-28/h4-12,14H,13H2,1-3H3,(H,25,29)(H2,24,26,30)