5-[[4-[(2R)-butan-2-yl]oxyphenyl]carbonylcarbamothioylamino]-2-chloranyl-benzoate

Systemtic Name: 5-[[4-[(2R)-butan-2-yl]oxyphenyl]carbonylcarbamothioylamino]-2-chloranyl-benzoate Openeye Name: 2-chloro-5-[[4-[(1R)-1-methylpropoxy]benzoyl]carbamothioylamino]benzoate CAS Name: 5-[[[[[4-[(2R)-butan-2-yl]oxyphenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chlorobenzoate IUPAC Name: 5-[[4-[(2R)-butan-2-yl]oxybenzoyl]carbamothioylamino]-2-chlorobenzoate Traditional Name: 2-chloro-5-[[4-[(1R)-1-methylpropoxy]benzoyl]thiocarbamoylamino]benzoate Formula: C19H18ClN2O4S- MolecularWeight: 405.87522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O4S/c1-3-11(2)26-14-7-4-12(5-8-14)17(23)22-19(27)21-13-6-9-16(20)15(10-13)18(24)25/h4-11H,3H2,1-2H3,(H,24,25)(H2,21,22,23,27)/p-1/t11-/m1/s1