2-chloranyl-3-[chloranyl-(propan-2-ylcarbamothioylamino)methyl]benzoic acid

Systemtic Name: 2-chloranyl-3-[chloranyl-(propan-2-ylcarbamothioylamino)methyl]benzoic acid Openeye Name: 2-chloro-3-[chloro-(isopropylcarbamothioylamino)methyl]benzoic acid CAS Name: 2-chloro-3-[chloro-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 2-chloro-3-[chloro-(propan-2-ylcarbamothioylamino)methyl]benzoic acid Traditional Name: 2-chloro-3-[chloro-(isopropylthiocarbamoylamino)methyl]benzoic acid Formula: C12H14Cl2N2O2S MolecularWeight: 321.22276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NC(C1=CC=CC(=C1Cl)C(=O)O)Cl

Isomeric SMILES

CC(C)NC(=S)NC(C1=CC=CC(=C1Cl)C(=O)O)Cl

InChI

InChI=1S/C12H14Cl2N2O2S/c1-6(2)15-12(19)16-10(14)7-4-3-5-8(9(7)13)11(17)18/h3-6,10H,1-2H3,(H,17,18)(H2,15,16,19)