methyl 2-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[(4-bromo-2-chloro-phenyl)carbamothioylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-chlorophenyl)carbamothioylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[(4-bromo-2-chloro-phenyl)thiocarbamoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C17H16BrClN2O4S MolecularWeight: 459.74194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=C(C=C(C=C2)Br)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=C(C=C(C=C2)Br)Cl)OC

InChI

InChI=1S/C17H16BrClN2O4S/c1-23-14-7-10(16(22)25-3)13(8-15(14)24-2)21-17(26)20-12-5-4-9(18)6-11(12)19/h4-8H,1-3H3,(H2,20,21,26)