O-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propyl] carbamothioate

Systemtic Name: O-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propyl] carbamothioate Openeye Name: O-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-naphthyl)piperazin-1-yl]propyl] carbamothioate CAS Name: carbamothioic acid O-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-naphthalenyl)-1-piperazinyl]propyl] ester IUPAC Name: O-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propyl] carbamothioate Traditional Name: thiocarbamic acid O-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-naphthyl)piperazino]propyl] ester Formula: C26H29N3O3S MolecularWeight: 463.59176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC3=C(C=C2)OCCO3)OC(=S)N)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCC(C2=CC3=C(C=C2)OCCO3)OC(=S)N)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H29N3O3S/c27-26(33)32-23(20-8-9-24-25(18-20)31-17-16-30-24)10-11-28-12-14-29(15-13-28)22-7-3-5-19-4-1-2-6-21(19)22/h1-9,18,23H,10-17H2,(H2,27,33)