2-diethylaminoethyl 4-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(3-fluoro-4-methylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-fluoro-4-methyl-phenyl)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)NC2=CC(=C(C=C2)C)F

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)C)F

InChI

InChI=1S/C21H26FN3O2S/c1-4-25(5-2)12-13-27-20(26)16-7-10-17(11-8-16)23-21(28)24-18-9-6-15(3)19(22)14-18/h6-11,14H,4-5,12-13H2,1-3H3,(H2,23,24,28)