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

Systemtic Name: N-[[3-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-2-(2-methylphenoxy)ethanamide Openeye Name: N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide CAS Name: N-[[3-chloro-2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[[3-chloro-2-(4-methylpiperazino)phenyl]thiocarbamoyl]-2-(2-methylphenoxy)acetamide Formula: C21H25ClN4O2S MolecularWeight: 432.9668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C

InChI

InChI=1S/C21H25ClN4O2S/c1-15-6-3-4-9-18(15)28-14-19(27)24-21(29)23-17-8-5-7-16(22)20(17)26-12-10-25(2)11-13-26/h3-9H,10-14H2,1-2H3,(H2,23,24,27,29)