2-[[4-[(2S)-butan-2-yl]oxyphenyl]carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[[4-[(2S)-butan-2-yl]oxyphenyl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-[[4-[(1S)-1-methylpropoxy]benzoyl]carbamothioylamino]benzoic acid CAS Name: 2-[[[[[4-[(2S)-butan-2-yl]oxyphenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[[4-[(2S)-butan-2-yl]oxybenzoyl]carbamothioylamino]benzoic acid Traditional Name: 2-[[4-[(1S)-1-methylpropoxy]benzoyl]thiocarbamoylamino]benzoic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC[C@H](C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H20N2O4S/c1-3-12(2)25-14-10-8-13(9-11-14)17(22)21-19(26)20-16-7-5-4-6-15(16)18(23)24/h4-12H,3H2,1-2H3,(H,23,24)(H2,20,21,22,26)/t12-/m0/s1