5-[4-(2-propylsulfanylphenyl)piperazin-1-yl]pentyl N-ethylcarbamate

Systemtic Name: 5-[4-(2-propylsulfanylphenyl)piperazin-1-yl]pentyl N-ethylcarbamate Openeye Name: 5-[4-(2-propylsulfanylphenyl)piperazin-1-yl]pentyl N-ethylcarbamate CAS Name: N-ethylcarbamic acid 5-[4-[2-(propylthio)phenyl]-1-piperazinyl]pentyl ester IUPAC Name: 5-[4-(2-propylsulfanylphenyl)piperazin-1-yl]pentyl N-ethylcarbamate Traditional Name: N-ethylcarbamic acid 5-[4-[2-(propylthio)phenyl]piperazino]pentyl ester Formula: C21H35N3O2S MolecularWeight: 393.5865

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1N2CCN(CC2)CCCCCOC(=O)NCC

Isomeric SMILES

CCCSC1=CC=CC=C1N2CCN(CC2)CCCCCOC(=O)NCC

InChI

InChI=1S/C21H35N3O2S/c1-3-18-27-20-11-7-6-10-19(20)24-15-13-23(14-16-24)12-8-5-9-17-26-21(25)22-4-2/h6-7,10-11H,3-5,8-9,12-18H2,1-2H3,(H,22,25)