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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylpiperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Formula: C19H21ClFN3OS MolecularWeight: 393.905943

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H21ClFN3OS/c1-13-12-23(19(26)22-14-3-8-18(21)17(20)11-14)9-10-24(13)15-4-6-16(25-2)7-5-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,26)