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

Systemtic Name: N-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-chlorophenyl)ethanamide Openeye Name: N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide CAS Name: N-[[3-chloro-4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-(4-chlorophenyl)acetamide IUPAC Name: N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide Traditional Name: N-[[3-chloro-4-(4-methylpiperazino)phenyl]thiocarbamoyl]-2-(4-chlorophenyl)acetamide Formula: C20H22Cl2N4OS MolecularWeight: 437.38588

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H22Cl2N4OS/c1-25-8-10-26(11-9-25)18-7-6-16(13-17(18)22)23-20(28)24-19(27)12-14-2-4-15(21)5-3-14/h2-7,13H,8-12H2,1H3,(H2,23,24,27,28)