ethyl 4-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]benzoate CAS Name: 4-[[[[1-[(4-bromophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]benzoate Traditional Name: 4-[[1-(4-bromobenzyl)pyrazol-3-yl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H19BrN4O2S MolecularWeight: 459.35946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN4O2S/c1-2-27-19(26)15-5-9-17(10-6-15)22-20(28)23-18-11-12-25(24-18)13-14-3-7-16(21)8-4-14/h3-12H,2,13H2,1H3,(H2,22,23,24,28)