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

Systemtic Name: (4-hydroxyphenyl)-[4-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]methanone Openeye Name: (4-hydroxyphenyl)-[4-(5-nitrobenzothiophene-2-carbonyl)piperazin-1-yl]methanone CAS Name: (4-hydroxyphenyl)-[4-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]methanone IUPAC Name: (4-hydroxyphenyl)-[4-(5-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone Traditional Name: (4-hydroxyphenyl)-[4-(5-nitrobenzothiophene-2-carbonyl)piperazino]methanone Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)O)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)O)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S/c24-16-4-1-13(2-5-16)19(25)21-7-9-22(10-8-21)20(26)18-12-14-11-15(23(27)28)3-6-17(14)29-18/h1-6,11-12,24H,7-10H2