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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C24H28ClN5O5S MolecularWeight: 534.02762

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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=CC(=C(C=C3)OCC)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN5O5S/c1-3-5-22(31)29-12-10-28(11-13-29)19-8-7-17(15-18(19)25)26-24(36)27-23(32)16-6-9-21(35-4-2)20(14-16)30(33)34/h6-9,14-15H,3-5,10-13H2,1-2H3,(H2,26,27,32,36)