2-cyclohexyl-N-(3-methylsulfanylphenyl)-3-oxidanylidene-1H-pyrrolo[3,4-b]quinoline-9-carboxamide

Systemtic Name: 2-cyclohexyl-N-(3-methylsulfanylphenyl)-3-oxidanylidene-1H-pyrrolo[3,4-b]quinoline-9-carboxamide Openeye Name: 2-cyclohexyl-N-(3-methylsulfanylphenyl)-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide CAS Name: 2-cyclohexyl-N-[3-(methylthio)phenyl]-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide IUPAC Name: 2-cyclohexyl-N-(3-methylsulfanylphenyl)-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide Traditional Name: 2-cyclohexyl-3-keto-N-[3-(methylthio)phenyl]-1H-pyrrolo[3,4-b]quinoline-9-carboxamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=C3CN(C(=O)C3=NC4=CC=CC=C42)C5CCCCC5

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=C3CN(C(=O)C3=NC4=CC=CC=C42)C5CCCCC5

InChI

InChI=1S/C25H25N3O2S/c1-31-18-11-7-8-16(14-18)26-24(29)22-19-12-5-6-13-21(19)27-23-20(22)15-28(25(23)30)17-9-3-2-4-10-17/h5-8,11-14,17H,2-4,9-10,15H2,1H3,(H,26,29)