[(3S)-1-(1,4-dithiepan-6-yl)piperidin-3-yl]-(4-methoxy-2-methyl-phenyl)methanone

Systemtic Name: [(3S)-1-(1,4-dithiepan-6-yl)piperidin-3-yl]-(4-methoxy-2-methyl-phenyl)methanone Openeye Name: [(3S)-1-(1,4-dithiepan-6-yl)-3-piperidyl]-(4-methoxy-2-methyl-phenyl)methanone CAS Name: [(3S)-1-(1,4-dithiepan-6-yl)-3-piperidinyl]-(4-methoxy-2-methylphenyl)methanone IUPAC Name: [(3S)-1-(1,4-dithiepan-6-yl)piperidin-3-yl]-(4-methoxy-2-methylphenyl)methanone Traditional Name: [(3S)-1-(1,4-dithiepan-6-yl)-3-piperidyl]-(4-methoxy-2-methyl-phenyl)methanone Formula: C19H27NO2S2 MolecularWeight: 365.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C(=O)C2CCCN(C2)C3CSCCSC3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C(=O)[C@H]2CCCN(C2)C3CSCCSC3

InChI

InChI=1S/C19H27NO2S2/c1-14-10-17(22-2)5-6-18(14)19(21)15-4-3-7-20(11-15)16-12-23-8-9-24-13-16/h5-6,10,15-16H,3-4,7-9,11-13H2,1-2H3/t15-/m0/s1