N,4-bis(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N,4-bis(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N,4-bis(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N,4-bis(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N,4-bis(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N,4-bis(4-nitrophenyl)piperazine-1-carbothioamide Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S/c23-21(24)15-3-1-13(2-4-15)18-17(27)20-11-9-19(10-12-20)14-5-7-16(8-6-14)22(25)26/h1-8H,9-12H2,(H,18,27)