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

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-4-(5-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-2-methyl-phenyl)-N-(2,5-dichlorophenyl)piperazine-1-carbothioamide CAS Name: 4-(5-chloro-2-methylphenyl)-N-(2,5-dichlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-2-methylphenyl)-N-(2,5-dichlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-2-methyl-phenyl)-N-(2,5-dichlorophenyl)piperazine-1-carbothioamide Formula: C18H18Cl3N3S MolecularWeight: 414.77962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C18H18Cl3N3S/c1-12-2-3-14(20)11-17(12)23-6-8-24(9-7-23)18(25)22-16-10-13(19)4-5-15(16)21/h2-5,10-11H,6-9H2,1H3,(H,22,25)