ethyl 4-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propylcarbamothioylamino]benzoate CAS Name: 4-[[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]benzoate Traditional Name: 4-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propylthiocarbamoylamino]benzoic acid ethyl ester Formula: C18H23BrN4O2S MolecularWeight: 439.36982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C18H23BrN4O2S/c1-4-25-17(24)14-6-8-15(9-7-14)21-18(26)20-10-5-11-23-13(3)16(19)12(2)22-23/h6-9H,4-5,10-11H2,1-3H3,(H2,20,21,26)