methyl 3-[(4-ethylphenyl)carbamothioylamino]-4-(4-fluorophenyl)sulfanyl-benzoate

Systemtic Name: methyl 3-[(4-ethylphenyl)carbamothioylamino]-4-(4-fluorophenyl)sulfanyl-benzoate Openeye Name: methyl 3-[(4-ethylphenyl)carbamothioylamino]-4-(4-fluorophenyl)sulfanyl-benzoate CAS Name: 3-[[(4-ethylanilino)-sulfanylidenemethyl]amino]-4-[(4-fluorophenyl)thio]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-ethylphenyl)carbamothioylamino]-4-(4-fluorophenyl)sulfanylbenzoate Traditional Name: 3-[(4-ethylphenyl)thiocarbamoylamino]-4-[(4-fluorophenyl)thio]benzoic acid methyl ester Formula: C23H21FN2O2S2 MolecularWeight: 440.553443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)SC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)SC3=CC=C(C=C3)F

InChI

InChI=1S/C23H21FN2O2S2/c1-3-15-4-9-18(10-5-15)25-23(29)26-20-14-16(22(27)28-2)6-13-21(20)30-19-11-7-17(24)8-12-19/h4-14H,3H2,1-2H3,(H2,25,26,29)