N-(3-chloranyl-4-fluoranyl-phenyl)-4-naphthalen-2-ylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-naphthalen-2-ylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(2-naphthylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(2-naphthalenylsulfonyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(2-naphthylsulfonyl)piperazine-1-carbothioamide Formula: C21H19ClFN3O2S2 MolecularWeight: 463.975863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H19ClFN3O2S2/c22-19-14-17(6-8-20(19)23)24-21(29)25-9-11-26(12-10-25)30(27,28)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14H,9-12H2,(H,24,29)