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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C22H25N5O4S MolecularWeight: 455.53

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O4S/c1-2-4-20(28)26-13-11-25(12-14-26)18-9-7-17(8-10-18)23-22(32)24-21(29)16-5-3-6-19(15-16)27(30)31/h3,5-10,15H,2,4,11-14H2,1H3,(H2,23,24,29,32)