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

Systemtic Name: 3,5-bis(bromanyl)-N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 3,5-dibromo-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 3,5-dibromo-N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 3,5-dibromo-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 3,5-dibromo-N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C22H23Br2ClN4O3S MolecularWeight: 618.76902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23Br2ClN4O3S/c1-3-19(30)29-8-6-28(7-9-29)18-5-4-14(25)12-17(18)26-22(33)27-21(31)15-10-13(23)11-16(24)20(15)32-2/h4-5,10-12H,3,6-9H2,1-2H3,(H2,26,27,31,33)