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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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