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

Systemtic Name: 3-bromanyl-N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[3-chloro-4-(4-ethylpiperazino)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C21H24BrClN4O2S MolecularWeight: 511.86286

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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)OC)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrClN4O2S/c1-3-26-8-10-27(11-9-26)18-6-5-15(13-17(18)23)24-21(30)25-20(28)14-4-7-19(29-2)16(22)12-14/h4-7,12-13H,3,8-11H2,1-2H3,(H2,24,25,28,30)