3-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 3-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 3-[(4-propoxybenzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[(4-propoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 3-[(4-propoxybenzoyl)thiocarbamoylamino]benzoate Formula: C18H17N2O4S- MolecularWeight: 357.40358

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C18H18N2O4S/c1-2-10-24-15-8-6-12(7-9-15)16(21)20-18(25)19-14-5-3-4-13(11-14)17(22)23/h3-9,11H,2,10H2,1H3,(H,22,23)(H2,19,20,21,25)/p-1