N-(3-chloranyl-4-fluoranyl-phenyl)-4-(phenylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(phenylcarbonyl)piperazine-1-carbothioamide Openeye Name: 4-benzoyl-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide CAS Name: 4-benzoyl-N-(3-chloro-4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzoyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-benzoyl-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide Formula: C18H17ClFN3OS MolecularWeight: 377.863483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H17ClFN3OS/c19-15-12-14(6-7-16(15)20)21-18(25)23-10-8-22(9-11-23)17(24)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,21,25)