N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-3-nitro-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C22H24ClN5O4S MolecularWeight: 489.97506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN5O4S/c1-2-3-20(29)27-12-10-26(11-13-27)17-7-5-16(6-8-17)24-22(33)25-21(30)15-4-9-18(23)19(14-15)28(31)32/h4-9,14H,2-3,10-13H2,1H3,(H2,24,25,30,33)