N-butyl-2-[4-[4-(1,3-dithian-2-yl)phenyl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[4-(1,3-dithian-2-yl)phenyl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[4-(1,3-dithian-2-yl)benzoyl]piperazin-1-yl]acetamide CAS Name: N-butyl-2-[4-[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-butyl-2-[4-[4-(1,3-dithian-2-yl)benzoyl]piperazin-1-yl]acetamide Traditional Name: N-butyl-2-[4-[4-(1,3-dithian-2-yl)benzoyl]piperazino]acetamide Formula: C21H31N3O2S2 MolecularWeight: 421.61974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C21H31N3O2S2/c1-2-3-9-22-19(25)16-23-10-12-24(13-11-23)20(26)17-5-7-18(8-6-17)21-27-14-4-15-28-21/h5-8,21H,2-4,9-16H2,1H3,(H,22,25)