N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(1-phenylethyl)piperazine-1-carbothioamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(1-phenylethyl)piperazine-1-carbothioamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1-phenylethyl)piperazine-1-carbothioamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1-phenylethyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1-phenylethyl)piperazine-1-carbothioamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1-phenylethyl)piperazine-1-carbothioamide Formula: C20H21ClF3N3S MolecularWeight: 427.91405

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H21ClF3N3S/c1-14(15-5-3-2-4-6-15)26-9-11-27(12-10-26)19(28)25-16-7-8-18(21)17(13-16)20(22,23)24/h2-8,13-14H,9-12H2,1H3,(H,25,28)