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

Systemtic Name: N-[2,5-bis(fluoranyl)phenyl]-4-(3-pyrrolidin-1-ylpropyl)piperazine-1-carbothioamide Openeye Name: N-(2,5-difluorophenyl)-4-(3-pyrrolidin-1-ylpropyl)piperazine-1-carbothioamide CAS Name: N-(2,5-difluorophenyl)-4-[3-(1-pyrrolidinyl)propyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,5-difluorophenyl)-4-(3-pyrrolidin-1-ylpropyl)piperazine-1-carbothioamide Traditional Name: N-(2,5-difluorophenyl)-4-(3-pyrrolidinopropyl)piperazine-1-carbothioamide Formula: C18H26F2N4S MolecularWeight: 368.487646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCN2CCN(CC2)C(=S)NC3=C(C=CC(=C3)F)F

Isomeric SMILES

C1CCN(C1)CCCN2CCN(CC2)C(=S)NC3=C(C=CC(=C3)F)F

InChI

InChI=1S/C18H26F2N4S/c19-15-4-5-16(20)17(14-15)21-18(25)24-12-10-23(11-13-24)9-3-8-22-6-1-2-7-22/h4-5,14H,1-3,6-13H2,(H,21,25)