methyl 4-azanyl-3-[[2,6-bis(chloranyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-azanyl-3-[[2,6-bis(chloranyl)phenyl]carbamothioylamino]benzoate Openeye Name: methyl 4-amino-3-[(2,6-dichlorophenyl)carbamothioylamino]benzoate CAS Name: 4-amino-3-[[(2,6-dichloroanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-[(2,6-dichlorophenyl)carbamothioylamino]benzoate Traditional Name: 4-amino-3-[(2,6-dichlorophenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C15H13Cl2N3O2S MolecularWeight: 370.25362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N)NC(=S)NC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N)NC(=S)NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C15H13Cl2N3O2S/c1-22-14(21)8-5-6-11(18)12(7-8)19-15(23)20-13-9(16)3-2-4-10(13)17/h2-7H,18H2,1H3,(H2,19,20,23)