S-[[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyloxy]phenyl]methyl] piperazine-1-carbothioate

Systemtic Name: S-[[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyloxy]phenyl]methyl] piperazine-1-carbothioate Openeye Name: S-[[4-[(3-chloro-4-fluoro-phenyl)carbamoyloxy]phenyl]methyl] piperazine-1-carbothioate CAS Name: 1-piperazinecarbothioic acid S-[[4-[(3-chloro-4-fluoroanilino)-oxomethoxy]phenyl]methyl] ester IUPAC Name: S-[[4-[(3-chloro-4-fluorophenyl)carbamoyloxy]phenyl]methyl] piperazine-1-carbothioate Traditional Name: piperazine-1-carbothioic acid S-[4-[(3-chloro-4-fluoro-phenyl)carbamoyloxy]benzyl] ester Formula: C19H19ClFN3O3S MolecularWeight: 423.888863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClFN3O3S/c20-16-11-14(3-6-17(16)21)23-18(25)27-15-4-1-13(2-5-15)12-28-19(26)24-9-7-22-8-10-24/h1-6,11,22H,7-10,12H2,(H,23,25)