methyl 2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate CAS Name: 2-[4-[[[4-(4-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate Traditional Name: 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetic acid methyl ester Formula: C20H22FN3O2S MolecularWeight: 387.470983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O2S/c1-26-19(25)14-15-2-6-17(7-3-15)22-20(27)24-12-10-23(11-13-24)18-8-4-16(21)5-9-18/h2-9H,10-14H2,1H3,(H,22,27)