4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-N-(2-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide Formula: C19H27FN4OS MolecularWeight: 378.507283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C19H27FN4OS/c20-16-7-3-4-8-17(16)21-19(26)24-13-11-22(12-14-24)15-18(25)23-9-5-1-2-6-10-23/h3-4,7-8H,1-2,5-6,9-15H2,(H,21,26)