N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-oxidanylidenepiperazin-1-yl)ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-oxidanylidenepiperazin-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-oxopiperazin-1-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-oxo-1-piperazinyl)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-oxopiperazin-1-yl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-ketopiperazino)acetamide Formula: C15H18N4O2S MolecularWeight: 318.39402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCNC(=O)C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCNC(=O)C3)C#N

InChI

InChI=1S/C15H18N4O2S/c16-7-11-10-3-1-2-4-12(10)22-15(11)18-14(21)9-19-6-5-17-13(20)8-19/h1-6,8-9H2,(H,17,20)(H,18,21)