N-[2,5-bis(chloranyl)phenyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(2,5-dichlorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(2,5-dichlorophenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dichlorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(2,5-dichlorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C17H16Cl2N4O2S MolecularWeight: 411.30554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16Cl2N4O2S/c18-12-1-6-15(19)16(11-12)20-17(26)22-9-7-21(8-10-22)13-2-4-14(5-3-13)23(24)25/h1-6,11H,7-10H2,(H,20,26)