N-(3-chloranyl-4-fluoranyl-phenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(2,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C19H21ClFN3S MolecularWeight: 377.906543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H21ClFN3S/c1-13-3-4-14(2)18(11-13)23-7-9-24(10-8-23)19(25)22-15-5-6-17(21)16(20)12-15/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)