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

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-(4-chloro-2-nitro-phenyl)-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-(4-chloro-2-nitrophenyl)-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-chloro-2-nitrophenyl)-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-(4-chloro-2-nitro-phenyl)-N-ethyl-piperazine-1-carbothioamide Formula: C13H17ClN4O2S MolecularWeight: 328.81768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN4O2S/c1-2-15-13(21)17-7-5-16(6-8-17)11-4-3-10(14)9-12(11)18(19)20/h3-4,9H,2,5-8H2,1H3,(H,15,21)