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

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-(5-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-2-methyl-phenyl)-N-(2,4-difluorophenyl)piperazine-1-carbothioamide CAS Name: 4-(5-chloro-2-methylphenyl)-N-(2,4-difluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-2-methylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-2-methyl-phenyl)-N-(2,4-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=C(C=C(C=C3)F)F

Isomeric SMILES

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

InChI

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