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

Systemtic Name: N-[2,5-bis(fluoranyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-cyanophenyl)-N-(2,5-difluorophenyl)piperazine-1-carbothioamide CAS Name: 4-(2-cyanophenyl)-N-(2,5-difluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-cyanophenyl)-N-(2,5-difluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-cyanophenyl)-N-(2,5-difluorophenyl)piperazine-1-carbothioamide Formula: C18H16F2N4S MolecularWeight: 358.408246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)C(=S)NC3=C(C=CC(=C3)F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)C(=S)NC3=C(C=CC(=C3)F)F

InChI

InChI=1S/C18H16F2N4S/c19-14-5-6-15(20)16(11-14)22-18(25)24-9-7-23(8-10-24)17-4-2-1-3-13(17)12-21/h1-6,11H,7-10H2,(H,22,25)