N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-(2-methylphenoxy)ethanamide

Systemtic Name: N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-(2-methylphenoxy)ethanamide Openeye Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide CAS Name: N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]-2-(2-methylphenoxy)acetamide 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)COC3=CC=CC=C3C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)COC3=CC=CC=C3C

InChI

InChI=1S/C22H27ClN4O2S/c1-3-26-11-13-27(14-12-26)21-17(23)8-6-9-18(21)24-22(30)25-20(28)15-29-19-10-5-4-7-16(19)2/h4-10H,3,11-15H2,1-2H3,(H2,24,25,28,30)