S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] carbamothioate

Systemtic Name: S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] carbamothioate Openeye Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] carbamothioate CAS Name: carbamothioic acid S-[[5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl]] ester IUPAC Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] carbamothioate Traditional Name: thiocarbamic acid S-[5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)SC(=O)N

Isomeric SMILES

C1C(CN(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)SC(=O)N

InChI

InChI=1S/C18H18N2O3S/c19-18(22)24-16-10-17(21)20(12-16)11-13-6-8-15(9-7-13)23-14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H2,19,22)