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

Systemtic Name: 3-bromanyl-N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[3-chloro-4-(4-ethylpiperazino)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C22H26BrClN4O2S MolecularWeight: 525.88944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrClN4O2S/c1-3-27-9-11-28(12-10-27)19-7-6-16(14-18(19)24)25-22(31)26-21(29)15-5-8-20(30-4-2)17(23)13-15/h5-8,13-14H,3-4,9-12H2,1-2H3,(H2,25,26,29,31)