(2S)-4-methyl-N-(4-nitrophenyl)-2-phenyl-piperazine-1-carbothioamide

Systemtic Name: (2S)-4-methyl-N-(4-nitrophenyl)-2-phenyl-piperazine-1-carbothioamide Openeye Name: (2S)-4-methyl-N-(4-nitrophenyl)-2-phenyl-piperazine-1-carbothioamide CAS Name: (2S)-4-methyl-N-(4-nitrophenyl)-2-phenyl-1-piperazinecarbothioamide IUPAC Name: (2S)-4-methyl-N-(4-nitrophenyl)-2-phenylpiperazine-1-carbothioamide Traditional Name: (2S)-4-methyl-N-(4-nitrophenyl)-2-phenyl-piperazine-1-carbothioamide Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN([C@H](C1)C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O2S/c1-20-11-12-21(17(13-20)14-5-3-2-4-6-14)18(25)19-15-7-9-16(10-8-15)22(23)24/h2-10,17H,11-13H2,1H3,(H,19,25)/t17-/m1/s1