N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C22H27ClN4O2S MolecularWeight: 446.99338

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O2S/c1-3-26-12-14-27(15-13-26)20-18(23)6-5-7-19(20)24-22(30)25-21(28)16-8-10-17(11-9-16)29-4-2/h5-11H,3-4,12-15H2,1-2H3,(H2,24,25,28,30)