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2,4-bis(chloranyl)-3-[(propan-2-ylcarbamothioylamino)methyl]benzoic acid

2,4-bis(chloranyl)-3-[(propan-2-ylcarbamothioylamino)methyl]benzoic acid

Systemtic Name:2,4-bis(chloranyl)-3-[(propan-2-ylcarbamothioylamino)methyl]benzoic acid
Openeye Name:2,4-dichloro-3-[(isopropylcarbamothioylamino)methyl]benzoic acid
CAS Name:2,4-dichloro-3-[[[(propan-2-ylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid
IUPAC Name:2,4-dichloro-3-[(propan-2-ylcarbamothioylamino)methyl]benzoic acid
Traditional Name:2,4-dichloro-3-[(isopropylthiocarbamoylamino)methyl]benzoic acid
Formula: C12H14Cl2N2O2S
MolecularWeight: 321.22276
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NCC1=C(C=CC(=C1Cl)C(=O)O)Cl


Isomeric SMILES

CC(C)NC(=S)NCC1=C(C=CC(=C1Cl)C(=O)O)Cl


InChI

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


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