4-(4-fluorophenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-fluorophenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-fluorophenyl)-N-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: 4-(4-fluorophenyl)-N-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-fluorophenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-fluorophenyl)-N-(2-furfuryl)piperazine-1-carbothioamide Formula: C16H18FN3OS MolecularWeight: 319.397023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=S)NCC3=CC=CO3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C16H18FN3OS/c17-13-3-5-14(6-4-13)19-7-9-20(10-8-19)16(22)18-12-15-2-1-11-21-15/h1-6,11H,7-10,12H2,(H,18,22)