N-[4-methyl-1-oxidanylidene-1-[3-oxidanylidene-4-(phenylmethylsulfanyl)pyrrolidin-1-yl]pentan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[4-methyl-1-oxidanylidene-1-[3-oxidanylidene-4-(phenylmethylsulfanyl)pyrrolidin-1-yl]pentan-2-yl]quinoline-2-carboxamide Openeye Name: N-[1-(3-benzylsulfanyl-4-oxo-pyrrolidine-1-carbonyl)-3-methyl-butyl]quinoline-2-carboxamide CAS Name: N-[4-methyl-1-oxo-1-[3-oxo-4-(phenylmethylthio)-1-pyrrolidinyl]pentan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[1-(3-benzylsulfanyl-4-oxopyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]quinoline-2-carboxamide Traditional Name: N-[1-[3-(benzylthio)-4-keto-pyrrolidine-1-carbonyl]-3-methyl-butyl]quinaldamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CC(C(=O)C1)SCC2=CC=CC=C2)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC(C(=O)N1CC(C(=O)C1)SCC2=CC=CC=C2)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H29N3O3S/c1-18(2)14-23(29-26(32)22-13-12-20-10-6-7-11-21(20)28-22)27(33)30-15-24(31)25(16-30)34-17-19-8-4-3-5-9-19/h3-13,18,23,25H,14-17H2,1-2H3,(H,29,32)