(5-nitro-1-benzothiophen-2-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (5-nitro-1-benzothiophen-2-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(5-nitrobenzothiophen-2-yl)methanone CAS Name: (5-nitro-1-benzothiophen-2-yl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: (4-benzylpiperazino)-(5-nitrobenzothiophen-2-yl)methanone Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3S/c24-20(19-13-16-12-17(23(25)26)6-7-18(16)27-19)22-10-8-21(9-11-22)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2