(2S)-1-[(2-methoxyphenyl)methylcarbamothioyl]-N,N-bis(phenylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2-methoxyphenyl)methylcarbamothioyl]-N,N-bis(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N,N-dibenzyl-1-[(2-methoxyphenyl)methylcarbamothioyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[(2-methoxyphenyl)methylamino]-sulfanylidenemethyl]-N,N-bis(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N,N-dibenzyl-1-[(2-methoxyphenyl)methylcarbamothioyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N,N-dibenzyl-1-(o-anisylthiocarbamoyl)pyrrolidine-2-carboxamide Formula: C28H31N3O2S MolecularWeight: 473.62964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=S)N2CCCC2C(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1CNC(=S)N2CCC[C@H]2C(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O2S/c1-33-26-17-9-8-15-24(26)19-29-28(34)31-18-10-16-25(31)27(32)30(20-22-11-4-2-5-12-22)21-23-13-6-3-7-14-23/h2-9,11-15,17,25H,10,16,18-21H2,1H3,(H,29,34)/t25-/m0/s1