1-(1,3-benzodithiol-5-yl)-2-methyl-2-morpholin-4-yl-butan-1-one

Systemtic Name: 1-(1,3-benzodithiol-5-yl)-2-methyl-2-morpholin-4-yl-butan-1-one Openeye Name: 1-(1,3-benzodithiol-5-yl)-2-methyl-2-morpholino-butan-1-one CAS Name: 1-(1,3-benzodithiol-5-yl)-2-methyl-2-(4-morpholinyl)-1-butanone IUPAC Name: 1-(1,3-benzodithiol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-one Traditional Name: 1-(1,3-benzodithiol-5-yl)-2-methyl-2-morpholino-butan-1-one Formula: C16H21NO2S2 MolecularWeight: 323.47344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)C1=CC2=C(C=C1)SCS2)N3CCOCC3

Isomeric SMILES

CCC(C)(C(=O)C1=CC2=C(C=C1)SCS2)N3CCOCC3

InChI

InChI=1S/C16H21NO2S2/c1-3-16(2,17-6-8-19-9-7-17)15(18)12-4-5-13-14(10-12)21-11-20-13/h4-5,10H,3,6-9,11H2,1-2H3