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

Systemtic Name: 2-chloranyl-N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 2-chloro-N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 2-chloro-N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 2-chloro-N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 2-chloro-N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C27H26Cl2N4O2S MolecularWeight: 541.49194

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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(=O)C4=CC=CC=C4C)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl)Cl

InChI

InChI=1S/C27H26Cl2N4O2S/c1-17-7-9-21(22(28)15-17)25(34)31-27(36)30-19-8-10-24(23(29)16-19)32-11-13-33(14-12-32)26(35)20-6-4-3-5-18(20)2/h3-10,15-16H,11-14H2,1-2H3,(H2,30,31,34,36)