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

Systemtic Name: N-(3-nitrophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(3-nitrophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(3-nitrophenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-nitrophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(3-nitrophenyl)-4-(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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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