N-[(2S)-1-oxidanylidene-1-(3-oxidanylidene-2-phenylsulfanyl-pyrrolidin-1-yl)-3-phenyl-propan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-(3-oxidanylidene-2-phenylsulfanyl-pyrrolidin-1-yl)-3-phenyl-propan-2-yl]quinoline-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-2-(3-oxo-2-phenylsulfanyl-pyrrolidin-1-yl)ethyl]quinoline-2-carboxamide CAS Name: N-[(2S)-1-oxo-1-[3-oxo-2-(phenylthio)-1-pyrrolidinyl]-3-phenylpropan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[(2S)-1-oxo-1-(3-oxo-2-phenylsulfanylpyrrolidin-1-yl)-3-phenylpropan-2-yl]quinoline-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[3-keto-2-(phenylthio)pyrrolidino]ethyl]quinaldamide Formula: C29H25N3O3S MolecularWeight: 495.5921

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1=O)SC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(C(C1=O)SC2=CC=CC=C2)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H25N3O3S/c33-26-17-18-32(29(26)36-22-12-5-2-6-13-22)28(35)25(19-20-9-3-1-4-10-20)31-27(34)24-16-15-21-11-7-8-14-23(21)30-24/h1-16,25,29H,17-19H2,(H,31,34)/t25-,29?/m0/s1