1-decan-4-ylsulfanyl-3-phenyl-azepane-2,7-dione

Systemtic Name: 1-decan-4-ylsulfanyl-3-phenyl-azepane-2,7-dione Openeye Name: 3-phenyl-1-(1-propylheptylsulfanyl)azepane-2,7-dione CAS Name: 1-(decan-4-ylthio)-3-phenylazepane-2,7-dione IUPAC Name: 1-decan-4-ylsulfanyl-3-phenylazepane-2,7-dione Traditional Name: 3-phenyl-1-(1-propylheptylthio)azepane-2,7-quinone Formula: C22H33NO2S MolecularWeight: 375.56792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC)SN1C(=O)CCCC(C1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(CCC)SN1C(=O)CCCC(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C22H33NO2S/c1-3-5-6-10-15-19(12-4-2)26-23-21(24)17-11-16-20(22(23)25)18-13-8-7-9-14-18/h7-9,13-14,19-20H,3-6,10-12,15-17H2,1-2H3