N-[[2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[2-(4-acetylpiperazino)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S/c1-14(26)23-9-11-24(12-10-23)18-8-3-2-7-17(18)21-20(30)22-19(27)15-5-4-6-16(13-15)25(28)29/h2-8,13H,9-12H2,1H3,(H2,21,22,27,30)