4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)carbamothioyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]-N-phenyl-piperazine-1-carboxamide Formula: C18H18ClFN4OS MolecularWeight: 392.878123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NC2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1C(=O)NC2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H18ClFN4OS/c19-15-12-14(6-7-16(15)20)22-18(26)24-10-8-23(9-11-24)17(25)21-13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,21,25)(H,22,26)