3-[(4-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(4-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(4-isopropoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(4-isopropoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

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