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

Systemtic Name: 3,5-bis(bromanyl)-N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dibromo-2-methoxy-benzamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3,5-dibromo-2-methoxybenzamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dibromo-2-methoxybenzamide Traditional Name: N-[[4-(4-acetylpiperazino)phenyl]thiocarbamoyl]-3,5-dibromo-2-methoxy-benzamide Formula: C21H22Br2N4O3S MolecularWeight: 570.29738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3OC)Br)Br

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3OC)Br)Br

InChI

InChI=1S/C21H22Br2N4O3S/c1-13(28)26-7-9-27(10-8-26)16-5-3-15(4-6-16)24-21(31)25-20(29)17-11-14(22)12-18(23)19(17)30-2/h3-6,11-12H,7-10H2,1-2H3,(H2,24,25,29,31)