ethyl 4-[3-(4-methylpyrazol-1-yl)propylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[3-(4-methylpyrazol-1-yl)propylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[3-(4-methylpyrazol-1-yl)propylcarbamothioylamino]benzoate CAS Name: 4-[[[3-(4-methyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-methylpyrazol-1-yl)propylcarbamothioylamino]benzoate Traditional Name: 4-[3-(4-methylpyrazol-1-yl)propylthiocarbamoylamino]benzoic acid ethyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S/c1-3-23-16(22)14-5-7-15(8-6-14)20-17(24)18-9-4-10-21-12-13(2)11-19-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,18,20,24)