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

Systemtic Name: S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] N-propylcarbamothioate Openeye Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] N-propylcarbamothioate CAS Name: N-propylcarbamothioic acid S-[[5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl]] ester IUPAC Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] N-propylcarbamothioate Traditional Name: N-propylthiocarbamic acid S-[5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-2-12-22-21(25)27-19-13-20(24)23(15-19)14-16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-11,19H,2,12-15H2,1H3,(H,22,25)