ethyl 4-(propylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(propylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(propylcarbamothioylamino)benzoate CAS Name: 4-[[propylamino(sulfanylidene)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(propylcarbamothioylamino)benzoate Traditional Name: 4-(propylthiocarbamoylamino)benzoic acid ethyl ester Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCCNC(=S)NC1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C13H18N2O2S/c1-3-9-14-13(18)15-11-7-5-10(6-8-11)12(16)17-4-2/h5-8H,3-4,9H2,1-2H3,(H2,14,15,18)