2-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-[(4-propoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 2-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[(4-propoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-[(4-propoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O

InChI

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