3-[[4-[(2S)-butan-2-yl]oxyphenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: 3-[[4-[(2S)-butan-2-yl]oxyphenyl]carbonylcarbamothioylamino]benzoate Openeye Name: 3-[[4-[(1S)-1-methylpropoxy]benzoyl]carbamothioylamino]benzoate CAS Name: 3-[[[[[4-[(2S)-butan-2-yl]oxyphenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[[4-[(2S)-butan-2-yl]oxybenzoyl]carbamothioylamino]benzoate Traditional Name: 3-[[4-[(1S)-1-methylpropoxy]benzoyl]thiocarbamoylamino]benzoate Formula: C19H19N2O4S- MolecularWeight: 371.43016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

InChI

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