4-(2-azanylethylsulfanyl)-N-[1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 4-(2-azanylethylsulfanyl)-N-[1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 4-(2-aminoethylsulfanyl)-N-[3-phenyl-1-(3-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide CAS Name: 4-(2-aminoethylthio)-N-[1-oxo-4-phenyl-1-(3-quinolinylamino)butan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 4-(2-aminoethylsulfanyl)-N-[1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide Traditional Name: 4-(2-aminoethylthio)-N-[3-phenyl-1-(3-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)SCCN

Isomeric SMILES

C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)SCCN

InChI

InChI=1S/C26H31N5O2S/c27-12-13-34-21-15-24(29-17-21)26(33)31-23(11-10-18-6-2-1-3-7-18)25(32)30-20-14-19-8-4-5-9-22(19)28-16-20/h1-9,14,16,21,23-24,29H,10-13,15,17,27H2,(H,30,32)(H,31,33)