4-[2,5-bis(chloranyl)phenyl]sulfonyl-N-(5-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[2,5-bis(chloranyl)phenyl]sulfonyl-N-(5-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-4-(2,5-dichlorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methylphenyl)-4-(2,5-dichlorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methylphenyl)-4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-4-(2,5-dichlorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H18Cl3N3O2S2 MolecularWeight: 478.84342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C18H18Cl3N3O2S2/c1-12-2-3-13(19)10-16(12)22-18(27)23-6-8-24(9-7-23)28(25,26)17-11-14(20)4-5-15(17)21/h2-5,10-11H,6-9H2,1H3,(H,22,27)