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

Systemtic Name: N-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]-N-propyl-carbamothioate Openeye Name: N-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]-N-propyl-carbamothioate CAS Name: N-[5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl]-N-propylcarbamothioate IUPAC Name: N-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]-N-propylcarbamothioate Traditional Name: N-[5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl]-N-propyl-thiocarbamate Formula: C21H23N2O3S- MolecularWeight: 383.48392

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=S)[O-]

Isomeric SMILES

CCCN(C1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=S)[O-]

InChI

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