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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22Cl2N4OS/c1-13-3-5-15(16(21)11-13)19(27)24-20(28)23-14-4-6-18(17(22)12-14)26-9-7-25(2)8-10-26/h3-6,11-12H,7-10H2,1-2H3,(H2,23,24,27,28)