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

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(4-chloro-2-nitro-phenyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide CAS Name: 4-(4-chloro-2-nitrophenyl)-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-chloro-2-nitrophenyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(4-chloro-2-nitro-phenyl)-N-[3-(methylthio)propyl]piperazine-1-carbothioamide Formula: C15H21ClN4O2S2 MolecularWeight: 388.93584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN4O2S2/c1-24-10-2-5-17-15(23)19-8-6-18(7-9-19)13-4-3-12(16)11-14(13)20(21)22/h3-4,11H,2,5-10H2,1H3,(H,17,23)