1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Openeye Name: 1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-4-[4-(methylthio)phenyl]butane-1,4-dione IUPAC Name: 1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-4-[4-(methylthio)phenyl]butane-1,4-dione Formula: C24H29NO3S MolecularWeight: 411.55696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)CCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C24H29NO3S/c1-28-20-11-7-18(8-12-20)22-6-4-3-5-17-25(22)24(27)16-15-23(26)19-9-13-21(29-2)14-10-19/h7-14,22H,3-6,15-17H2,1-2H3/t22-/m1/s1