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

Systemtic Name: 3-bromanyl-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-4-ethoxy-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C24H29BrN4O3S MolecularWeight: 533.48106

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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)OCC)Br

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCC)Br

InChI

InChI=1S/C24H29BrN4O3S/c1-3-5-22(30)29-14-12-28(13-15-29)19-9-7-18(8-10-19)26-24(33)27-23(31)17-6-11-21(32-4-2)20(25)16-17/h6-11,16H,3-5,12-15H2,1-2H3,(H2,26,27,31,33)