ethyl 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H22FN3O4S2 MolecularWeight: 451.534783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O4S2/c1-2-28-19(25)15-3-7-17(8-4-15)22-20(29)23-11-13-24(14-12-23)30(26,27)18-9-5-16(21)6-10-18/h3-10H,2,11-14H2,1H3,(H,22,29)