methyl 4-(propylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(propylcarbamothioylamino)benzoate Openeye Name: methyl 4-(propylcarbamothioylamino)benzoate CAS Name: 4-[[propylamino(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(propylcarbamothioylamino)benzoate Traditional Name: 4-(propylthiocarbamoylamino)benzoic acid methyl ester Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O2S/c1-3-8-13-12(17)14-10-6-4-9(5-7-10)11(15)16-2/h4-7H,3,8H2,1-2H3,(H2,13,14,17)