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

Systemtic Name: 3,5-bis(chloranyl)-N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3,5-dichloro-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3,5-dichloro-N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3,5-dichloro-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3,5-dichloro-N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C21H23Cl3N4O2S MolecularWeight: 501.85692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=C(C(=C3)Cl)OC)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=C(C(=C3)Cl)OC)Cl

InChI

InChI=1S/C21H23Cl3N4O2S/c1-3-27-7-9-28(10-8-27)18-14(22)5-4-6-17(18)25-21(31)26-20(29)13-11-15(23)19(30-2)16(24)12-13/h4-6,11-12H,3,7-10H2,1-2H3,(H2,25,26,29,31)