N-[(2S)-2-ethylhexyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-[(2S)-2-ethylhexyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-[(2S)-2-ethylhexyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-[(2S)-2-ethylhexyl]-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-[(2S)-2-ethylhexyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-[(2S)-2-ethylhexyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C19H30N4O2S MolecularWeight: 378.5321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O2S/c1-3-5-6-16(4-2)15-20-19(26)22-13-11-21(12-14-22)17-7-9-18(10-8-17)23(24)25/h7-10,16H,3-6,11-15H2,1-2H3,(H,20,26)/t16-/m0/s1