propyl 4-(phenylcarbamothioylamino)benzoate

Systemtic Name: propyl 4-(phenylcarbamothioylamino)benzoate Openeye Name: propyl 4-(phenylcarbamothioylamino)benzoate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-(phenylcarbamothioylamino)benzoate Traditional Name: 4-(phenylthiocarbamoylamino)benzoic acid propyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O2S/c1-2-12-21-16(20)13-8-10-15(11-9-13)19-17(22)18-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H2,18,19,22)