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

Systemtic Name: (3-chloranyl-6-nitro-1-benzothiophen-2-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone Openeye Name: (3-chloro-6-nitro-benzothiophen-2-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone CAS Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone Traditional Name: [4-(3-chlorobenzyl)piperazino]-(3-chloro-6-nitro-benzothiophen-2-yl)methanone Formula: C20H17Cl2N3O3S MolecularWeight: 450.33828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2N3O3S/c21-14-3-1-2-13(10-14)12-23-6-8-24(9-7-23)20(26)19-18(22)16-5-4-15(25(27)28)11-17(16)29-19/h1-5,10-11H,6-9,12H2