N-(5-chloranyl-2-methoxy-phenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-[(3-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-(3-fluorobenzyl)piperazine-1-carbothioamide Formula: C19H21ClFN3OS MolecularWeight: 393.905943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C19H21ClFN3OS/c1-25-18-6-5-15(20)12-17(18)22-19(26)24-9-7-23(8-10-24)13-14-3-2-4-16(21)11-14/h2-6,11-12H,7-10,13H2,1H3,(H,22,26)