3-chloranyl-N-[[3-chloranyl-2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-chloranyl-N-[[3-chloranyl-2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-3-chloro-4-methyl-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]-3-chloro-4-methylbenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-3-chloro-4-methylbenzamide Traditional Name: N-[[2-(4-acetylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-3-chloro-4-methyl-benzamide Formula: C21H22Cl2N4O2S MolecularWeight: 465.39598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C)Cl

InChI

InChI=1S/C21H22Cl2N4O2S/c1-13-6-7-15(12-17(13)23)20(29)25-21(30)24-18-5-3-4-16(22)19(18)27-10-8-26(9-11-27)14(2)28/h3-7,12H,8-11H2,1-2H3,(H2,24,25,29,30)