butyl 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]benzoate

Systemtic Name: butyl 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]benzoate Openeye Name: butyl 4-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-chloro-4-fluorophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C18H18ClFN2O2S MolecularWeight: 380.864123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClFN2O2S/c1-2-3-10-24-17(23)12-4-6-13(7-5-12)21-18(25)22-14-8-9-16(20)15(19)11-14/h4-9,11H,2-3,10H2,1H3,(H2,21,22,25)