1-[(3-bromophenyl)carbonylamino]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-[(3-bromophenyl)carbonylamino]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-[(3-bromobenzoyl)amino]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[[(3-bromophenyl)-oxomethyl]amino]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[(3-bromobenzoyl)amino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-[(3-bromobenzoyl)amino]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C19H18BrN5O2S MolecularWeight: 460.34752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H18BrN5O2S/c1-12-16(18(27)25(24(12)2)15-9-4-3-5-10-15)21-19(28)23-22-17(26)13-7-6-8-14(20)11-13/h3-11H,1-2H3,(H,22,26)(H2,21,23,28)