4-(4-chloranyl-2-nitro-phenyl)-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide Openeye Name: 4-(4-chloro-2-nitro-phenyl)-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide CAS Name: 4-(4-chloro-2-nitrophenyl)-N-[(2S)-2-ethylhexyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-chloro-2-nitrophenyl)-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide Traditional Name: 4-(4-chloro-2-nitro-phenyl)-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide Formula: C19H29ClN4O2S MolecularWeight: 412.97716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H29ClN4O2S/c1-3-5-6-15(4-2)14-21-19(27)23-11-9-22(10-12-23)17-8-7-16(20)13-18(17)24(25)26/h7-8,13,15H,3-6,9-12,14H2,1-2H3,(H,21,27)/t15-/m0/s1