3,5-bis(bromanyl)-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-iodanyl-benzamide

Systemtic Name: 3,5-bis(bromanyl)-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-iodanyl-benzamide Openeye Name: 3,5-dibromo-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-iodo-benzamide CAS Name: 3,5-dibromo-2-iodo-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dibromo-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-iodobenzamide Traditional Name: 3,5-dibromo-N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-2-iodo-benzamide Formula: C22H23Br2IN4O2S MolecularWeight: 694.22109

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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(=C3I)Br)Br

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3I)Br)Br

InChI

InChI=1S/C22H23Br2IN4O2S/c1-2-3-19(30)29-10-8-28(9-11-29)16-6-4-15(5-7-16)26-22(32)27-21(31)17-12-14(23)13-18(24)20(17)25/h4-7,12-13H,2-3,8-11H2,1H3,(H2,26,27,31,32)