N-(2-chloranyl-5-nitro-phenyl)-4-(3-chlorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-(3-chlorophenyl)piperazine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-(3-chlorophenyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-(3-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-(3-chlorophenyl)piperazine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-(3-chlorophenyl)piperazine-1-carbothioamide Formula: C17H16Cl2N4O2S MolecularWeight: 411.30554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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