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

Systemtic Name: (3-chloranyl-6-nitro-1-benzothiophen-2-yl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone Openeye Name: (3-chloro-6-nitro-benzothiophen-2-yl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone CAS Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone Traditional Name: [4-(2-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=C2Cl)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Cl)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

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