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

Systemtic Name: methyl 2,4-bis(chloranyl)-3-[(propan-2-ylcarbamothioylamino)methyl]benzoate Openeye Name: methyl 2,4-dichloro-3-[(isopropylcarbamothioylamino)methyl]benzoate CAS Name: 2,4-dichloro-3-[[[(propan-2-ylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2,4-dichloro-3-[(propan-2-ylcarbamothioylamino)methyl]benzoate Traditional Name: 2,4-dichloro-3-[(isopropylthiocarbamoylamino)methyl]benzoic acid methyl ester Formula: C13H16Cl2N2O2S MolecularWeight: 335.24934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16Cl2N2O2S/c1-7(2)17-13(20)16-6-9-10(14)5-4-8(11(9)15)12(18)19-3/h4-5,7H,6H2,1-3H3,(H2,16,17,20)