[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]-phenyl-carbamothioic S-acid

Systemtic Name: [5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]-phenyl-carbamothioic S-acid Openeye Name: [5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]-phenyl-carbamothioic S-acid CAS Name: [5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl]-phenylcarbamothioic S-acid IUPAC Name: [5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]-phenylcarbamothioic S-acid Traditional Name: [5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl]-phenyl-thiocarbamic S-acid Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)N(C4=CC=CC=C4)C(=O)S

Isomeric SMILES

C1C(CN(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)N(C4=CC=CC=C4)C(=O)S

InChI

InChI=1S/C24H22N2O3S/c27-23-15-20(26(24(28)30)19-7-3-1-4-8-19)17-25(23)16-18-11-13-22(14-12-18)29-21-9-5-2-6-10-21/h1-14,20H,15-17H2,(H,28,30)