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

Systemtic Name: 4-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-fluorobenzyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Formula: C20H24FN3OS MolecularWeight: 373.487463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H24FN3OS/c1-15-6-7-19(25-2)18(12-15)22-20(26)24-10-8-23(9-11-24)14-16-4-3-5-17(21)13-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,26)