N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(oxolan-2-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(oxolan-2-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[oxo(2-oxolanyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide Formula: C17H19ClF3N3O2S MolecularWeight: 421.86487

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C17H19ClF3N3O2S/c18-13-4-3-11(10-12(13)17(19,20)21)22-16(27)24-7-5-23(6-8-24)15(25)14-2-1-9-26-14/h3-4,10,14H,1-2,5-9H2,(H,22,27)