N-[3,5-bis(fluoranyl)phenyl]-4-(5-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-4-(5-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-2-methyl-phenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide CAS Name: 4-(5-chloro-2-methylphenyl)-N-(3,5-difluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-2-methylphenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-2-methyl-phenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide Formula: C18H18ClF2N3S MolecularWeight: 381.870426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClF2N3S/c1-12-2-3-13(19)8-17(12)23-4-6-24(7-5-23)18(25)22-16-10-14(20)9-15(21)11-16/h2-3,8-11H,4-7H2,1H3,(H,22,25)