butyl 4-[(4-fluorophenyl)methylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(4-fluorophenyl)methylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(4-fluorophenyl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-fluorophenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(4-fluorobenzyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C19H21FN2O2S MolecularWeight: 360.445643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C19H21FN2O2S/c1-2-3-12-24-18(23)15-6-10-17(11-7-15)22-19(25)21-13-14-4-8-16(20)9-5-14/h4-11H,2-3,12-13H2,1H3,(H2,21,22,25)