(3-chloranyl-6-nitro-1-benzothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-6-nitro-1-benzothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone Openeye Name: (3-chloro-6-nitro-benzothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone CAS Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone Traditional Name: (3-chloro-6-nitro-benzothiophen-2-yl)-[4-(4-fluorobenzyl)piperazino]methanone Formula: C20H17ClFN3O3S MolecularWeight: 433.883683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClFN3O3S/c21-18-16-6-5-15(25(27)28)11-17(16)29-19(18)20(26)24-9-7-23(8-10-24)12-13-1-3-14(22)4-2-13/h1-6,11H,7-10,12H2