(3-iodanylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (3-iodanylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: (3-iodophenyl)-[4-(2-thienylmethyl)piperazin-1-yl]methanone CAS Name: (3-iodophenyl)-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (3-iodophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Traditional Name: (3-iodophenyl)-[4-(2-thenyl)piperazino]methanone Formula: C16H17IN2OS MolecularWeight: 412.28845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C16H17IN2OS/c17-14-4-1-3-13(11-14)16(20)19-8-6-18(7-9-19)12-15-5-2-10-21-15/h1-5,10-11H,6-9,12H2