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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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