4-(2-azanylethanoylamino)-N-[4-(phenylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide

Systemtic Name: 4-(2-azanylethanoylamino)-N-[4-(phenylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide Openeye Name: 4-[(2-aminoacetyl)amino]-N-(4-benzylsulfanylphenyl)pyrrolidine-2-carboxamide CAS Name: 4-[(2-amino-1-oxoethyl)amino]-N-[4-(phenylmethylthio)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: 4-[(2-aminoacetyl)amino]-N-(4-benzylsulfanylphenyl)pyrrolidine-2-carboxamide Traditional Name: N-[4-(benzylthio)phenyl]-4-(glycylamino)pyrrolidine-2-carboxamide Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)NC2=CC=C(C=C2)SCC3=CC=CC=C3)NC(=O)CN

Isomeric SMILES

C1C(CNC1C(=O)NC2=CC=C(C=C2)SCC3=CC=CC=C3)NC(=O)CN

InChI

InChI=1S/C20H24N4O2S/c21-11-19(25)23-16-10-18(22-12-16)20(26)24-15-6-8-17(9-7-15)27-13-14-4-2-1-3-5-14/h1-9,16,18,22H,10-13,21H2,(H,23,25)(H,24,26)