S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] N-propan-2-ylcarbamothioate

Systemtic Name: S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] N-propan-2-ylcarbamothioate Openeye Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] N-isopropylcarbamothioate CAS Name: N-propan-2-ylcarbamothioic acid S-[[5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl]] ester IUPAC Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] N-propan-2-ylcarbamothioate Traditional Name: N-isopropylthiocarbamic 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:

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

Isomeric SMILES

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

InChI

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