(2S)-N-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-2-phenyl-piperazine-1-carbothioamide

Systemtic Name: (2S)-N-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-2-phenyl-piperazine-1-carbothioamide Openeye Name: (2S)-N-(3-chloro-4-fluoro-phenyl)-4-methyl-2-phenyl-piperazine-1-carbothioamide CAS Name: (2S)-N-(3-chloro-4-fluorophenyl)-4-methyl-2-phenyl-1-piperazinecarbothioamide IUPAC Name: (2S)-N-(3-chloro-4-fluorophenyl)-4-methyl-2-phenylpiperazine-1-carbothioamide Traditional Name: (2S)-N-(3-chloro-4-fluoro-phenyl)-4-methyl-2-phenyl-piperazine-1-carbothioamide Formula: C18H19ClFN3S MolecularWeight: 363.879963

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CN1CCN([C@H](C1)C2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H19ClFN3S/c1-22-9-10-23(17(12-22)13-5-3-2-4-6-13)18(24)21-14-7-8-16(20)15(19)11-14/h2-8,11,17H,9-10,12H2,1H3,(H,21,24)/t17-/m1/s1