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

Systemtic Name: propyl 4-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]benzoate Openeye Name: propyl 4-[(4-bromo-2-chloro-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(4-bromo-2-chlorophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-bromo-2-chloro-phenyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C17H16BrClN2O2S MolecularWeight: 427.74314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrClN2O2S/c1-2-9-23-16(22)11-3-6-13(7-4-11)20-17(24)21-15-8-5-12(18)10-14(15)19/h3-8,10H,2,9H2,1H3,(H2,20,21,24)