N-(3-nitrophenyl)-4-phenyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-nitrophenyl)-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-(3-nitrophenyl)-4-phenyl-piperazine-1-carbothioamide CAS Name: N-(3-nitrophenyl)-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-(3-nitrophenyl)-4-phenylpiperazine-1-carbothioamide Traditional Name: N-(3-nitrophenyl)-4-phenyl-piperazine-1-carbothioamide Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S/c22-21(23)16-8-4-5-14(13-16)18-17(24)20-11-9-19(10-12-20)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H,18,24)