butyl 4-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]benzoate

Systemtic Name: butyl 4-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]benzoate Openeye Name: butyl 4-[(4-bromo-2-chloro-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-bromo-2-chlorophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-bromo-2-chloro-phenyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C18H18BrClN2O2S MolecularWeight: 441.76972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C18H18BrClN2O2S/c1-2-3-10-24-17(23)12-4-7-14(8-5-12)21-18(25)22-16-9-6-13(19)11-15(16)20/h4-9,11H,2-3,10H2,1H3,(H2,21,22,25)