4-(4-ethanoylphenyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethanoylphenyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3S/c1-14(24)15-5-7-17(8-6-15)21-9-11-22(12-10-21)19(27)20-16-3-2-4-18(13-16)23(25)26/h2-8,13H,9-12H2,1H3,(H,20,27)