3-[(3-propoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(3-propoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(3-propoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[oxo-(3-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(3-propoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(3-propoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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