2-diethylaminoethyl 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-(4-fluorophenyl)acryloyl]thiocarbamoylamino]benzoic acid 2-diethylaminoethyl ester Formula: C23H26FN3O3S MolecularWeight: 443.534243

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O3S/c1-3-27(4-2)15-16-30-22(29)18-8-12-20(13-9-18)25-23(31)26-21(28)14-7-17-5-10-19(24)11-6-17/h5-14H,3-4,15-16H2,1-2H3,(H2,25,26,28,31)/b14-7+