N-butyl-4-(4-chloranyl-2-nitro-phenyl)piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-(4-chloranyl-2-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: N-butyl-4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioamide CAS Name: N-butyl-4-(4-chloro-2-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-butyl-4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioamide Formula: C15H21ClN4O2S MolecularWeight: 356.87084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H21ClN4O2S/c1-2-3-6-17-15(23)19-9-7-18(8-10-19)13-5-4-12(16)11-14(13)20(21)22/h4-5,11H,2-3,6-10H2,1H3,(H,17,23)