4-chloranyl-3-[(3-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 4-chloranyl-3-[(3-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 4-chloro-3-[(3-isopropoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-chloro-3-[[[[oxo-(3-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-chloro-3-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-chloro-3-[(3-isopropoxybenzoyl)thiocarbamoylamino]benzoate Formula: C18H16ClN2O4S- MolecularWeight: 391.84864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O4S/c1-10(2)25-13-5-3-4-11(8-13)16(22)21-18(26)20-15-9-12(17(23)24)6-7-14(15)19/h3-10H,1-2H3,(H,23,24)(H2,20,21,22,26)/p-1