O-[1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl] N-methylcarbamothioate

Systemtic Name: O-[1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl] N-methylcarbamothioate Openeye Name: O-[1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl] N-methylcarbamothioate CAS Name: N-methylcarbamothioic acid O-[1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl] ester IUPAC Name: O-[1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl] N-methylcarbamothioate Traditional Name: N-methylthiocarbamic acid O-[1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazino]butyl] ester Formula: C29H40FN3O2S MolecularWeight: 513.710203

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)OC(C1CCCCC1)C(CCN2CCN(CC2)C3=CC=CC=C3OC)C4=CC=CC=C4F

Isomeric SMILES

CNC(=S)OC(C1CCCCC1)C(CCN2CCN(CC2)C3=CC=CC=C3OC)C4=CC=CC=C4F

InChI

InChI=1S/C29H40FN3O2S/c1-31-29(36)35-28(22-10-4-3-5-11-22)24(23-12-6-7-13-25(23)30)16-17-32-18-20-33(21-19-32)26-14-8-9-15-27(26)34-2/h6-9,12-15,22,24,28H,3-5,10-11,16-21H2,1-2H3,(H,31,36)