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

Systemtic Name: 3,5-bis(bromanyl)-N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 3,5-dibromo-N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 3,5-dibromo-N-[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 3,5-dibromo-N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 3,5-dibromo-N-[[3-chloro-4-(4-ethylpiperazino)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C21H23Br2ClN4O2S MolecularWeight: 590.75892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3OC)Br)Br)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3OC)Br)Br)Cl

InChI

InChI=1S/C21H23Br2ClN4O2S/c1-3-27-6-8-28(9-7-27)18-5-4-14(12-17(18)24)25-21(31)26-20(29)15-10-13(22)11-16(23)19(15)30-2/h4-5,10-12H,3,6-9H2,1-2H3,(H2,25,26,29,31)