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

Systemtic Name: [4-[(4-bromophenyl)methyl]piperazin-1-yl]-(3-chloranyl-6-nitro-1-benzothiophen-2-yl)methanone Openeye Name: [4-[(4-bromophenyl)methyl]piperazin-1-yl]-(3-chloro-6-nitro-benzothiophen-2-yl)methanone CAS Name: [4-[(4-bromophenyl)methyl]-1-piperazinyl]-(3-chloro-6-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-[(4-bromophenyl)methyl]piperazin-1-yl]-(3-chloro-6-nitro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(4-bromobenzyl)piperazino]-(3-chloro-6-nitro-benzothiophen-2-yl)methanone Formula: C20H17BrClN3O3S MolecularWeight: 494.78928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrClN3O3S/c21-14-3-1-13(2-4-14)12-23-7-9-24(10-8-23)20(26)19-18(22)16-6-5-15(25(27)28)11-17(16)29-19/h1-6,11H,7-10,12H2