2-diethylaminoethyl 4-[(4-fluorophenyl)methylcarbamothioylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(4-fluorophenyl)methylcarbamothioylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(4-fluorophenyl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(4-fluorophenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(4-fluorobenzyl)thiocarbamoylamino]benzoic acid 2-diethylaminoethyl ester Formula: C21H26FN3O2S MolecularWeight: 403.513443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O2S/c1-3-25(4-2)13-14-27-20(26)17-7-11-19(12-8-17)24-21(28)23-15-16-5-9-18(22)10-6-16/h5-12H,3-4,13-15H2,1-2H3,(H2,23,24,28)