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

Systemtic Name: 1-[(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-[[(4-bromo-1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]-3-p-phenetyl-thiourea Formula: C15H18BrN5O2S MolecularWeight: 412.30472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NNC(=O)C2=NN(C(=C2Br)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NNC(=O)C2=NN(C(=C2Br)C)C

InChI

InChI=1S/C15H18BrN5O2S/c1-4-23-11-7-5-10(6-8-11)17-15(24)19-18-14(22)13-12(16)9(2)21(3)20-13/h5-8H,4H2,1-3H3,(H,18,22)(H2,17,19,24)