[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[4-(1-naphthylmethyl)piperazin-1-yl]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[4-(1-naphthalenylmethyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-keto-2-[4-(1-naphthylmethyl)piperazino]ethyl] ester Formula: C25H26N2O3S MolecularWeight: 434.55054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H26N2O3S/c1-31-22-11-9-20(10-12-22)25(29)30-18-24(28)27-15-13-26(14-16-27)17-21-7-4-6-19-5-2-3-8-23(19)21/h2-12H,13-18H2,1H3