S-[[4-[[4-[bis(fluoranyl)methoxy]phenyl]carbamoyloxy]phenyl]methyl] piperazine-1-carbothioate

Systemtic Name: S-[[4-[[4-[bis(fluoranyl)methoxy]phenyl]carbamoyloxy]phenyl]methyl] piperazine-1-carbothioate Openeye Name: S-[[4-[[4-(difluoromethoxy)phenyl]carbamoyloxy]phenyl]methyl] piperazine-1-carbothioate CAS Name: 1-piperazinecarbothioic acid S-[[4-[[4-(difluoromethoxy)anilino]-oxomethoxy]phenyl]methyl] ester IUPAC Name: S-[[4-[[4-(difluoromethoxy)phenyl]carbamoyloxy]phenyl]methyl] piperazine-1-carbothioate Traditional Name: piperazine-1-carbothioic acid S-[4-[[4-(difluoromethoxy)phenyl]carbamoyloxy]benzyl] ester Formula: C20H21F2N3O4S MolecularWeight: 437.460246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)SCC2=CC=C(C=C2)OC(=O)NC3=CC=C(C=C3)OC(F)F

Isomeric SMILES

C1CN(CCN1)C(=O)SCC2=CC=C(C=C2)OC(=O)NC3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C20H21F2N3O4S/c21-18(22)28-16-7-3-15(4-8-16)24-19(26)29-17-5-1-14(2-6-17)13-30-20(27)25-11-9-23-10-12-25/h1-8,18,23H,9-13H2,(H,24,26)