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

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide CAS Name: 4-(4-chlorophenyl)-N-(3,5-difluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide Formula: C17H16ClF2N3S MolecularWeight: 367.843846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)Cl)C(=S)NC3=CC(=CC(=C3)F)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)Cl)C(=S)NC3=CC(=CC(=C3)F)F

InChI

InChI=1S/C17H16ClF2N3S/c18-12-1-3-16(4-2-12)22-5-7-23(8-6-22)17(24)21-15-10-13(19)9-14(20)11-15/h1-4,9-11H,5-8H2,(H,21,24)