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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methyl-4-nitro-benzamide CAS Name: 3-methyl-4-nitro-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-3-methyl-4-nitro-benzamide Formula: C23H27N5O4S MolecularWeight: 469.55658

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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)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O4S/c1-3-4-21(29)27-13-11-26(12-14-27)19-8-6-18(7-9-19)24-23(33)25-22(30)17-5-10-20(28(31)32)16(2)15-17/h5-10,15H,3-4,11-14H2,1-2H3,(H2,24,25,30,33)