N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C26H31ClN6O5S MolecularWeight: 575.07954

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)Cl

InChI

InChI=1S/C26H31ClN6O5S/c1-2-3-24(34)32-10-8-30(9-11-32)23-6-4-18(16-21(23)27)28-26(39)29-25(35)20-17-19(33(36)37)5-7-22(20)31-12-14-38-15-13-31/h4-7,16-17H,2-3,8-15H2,1H3,(H2,28,29,35,39)