2-methylpiperazine; (1E)-1-[1-[2-(4-propoxyphenoxy)phenyl]ethylidene]-1,3-dithiane

Systemtic Name: 2-methylpiperazine; (1E)-1-[1-[2-(4-propoxyphenoxy)phenyl]ethylidene]-1,3-dithiane Openeye Name: 2-methylpiperazine; (1E)-1-[1-[2-(4-propoxyphenoxy)phenyl]ethylidene]-1,3-dithiane CAS Name: 2-methylpiperazine; (1E)-1-[1-[2-(4-propoxyphenoxy)phenyl]ethylidene]-1,3-dithiane IUPAC Name: 2-methylpiperazine; (1E)-1-[1-[2-(4-propoxyphenoxy)phenyl]ethylidene]-1,3-dithiane Traditional Name: 2-methylpiperazine; (1E)-1-[1-[2-(4-propoxyphenoxy)phenyl]ethylidene]-1,3-dithiane Formula: C26H38N2O2S2 MolecularWeight: 474.72212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OC2=CC=CC=C2C(=S3CCCSC3)C.CC1CNCCN1

Isomeric SMILES

CCCOC1=CC=C(C=C1)OC2=CC=CC=C2/C(=S/3\CCCSC3)/C.CC1CNCCN1

InChI

InChI=1S/C21H26O2S2.C5H12N2/c1-3-13-22-18-9-11-19(12-10-18)23-21-8-5-4-7-20(21)17(2)25-15-6-14-24-16-25;1-5-4-6-2-3-7-5/h4-5,7-12H,3,6,13-16H2,1-2H3;5-7H,2-4H2,1H3