ethyl 4-[3-(4-chloranyl-5-methyl-pyrazol-1-yl)propylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[3-(4-chloranyl-5-methyl-pyrazol-1-yl)propylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[3-(4-chloro-5-methyl-pyrazol-1-yl)propylcarbamothioylamino]benzoate CAS Name: 4-[[[3-(4-chloro-5-methyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-chloro-5-methylpyrazol-1-yl)propylcarbamothioylamino]benzoate Traditional Name: 4-[3-(4-chloro-5-methyl-pyrazol-1-yl)propylthiocarbamoylamino]benzoic acid ethyl ester Formula: C17H21ClN4O2S MolecularWeight: 380.89224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O2S/c1-3-24-16(23)13-5-7-14(8-6-13)21-17(25)19-9-4-10-22-12(2)15(18)11-20-22/h5-8,11H,3-4,9-10H2,1-2H3,(H2,19,21,25)