4-[(5-fluoranyl-2-methoxy-phenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(5-fluoranyl-2-methoxy-phenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(5-fluoro-2-methoxy-phenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(5-fluoro-2-methoxy-benzyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide Formula: C20H24FN3O2S MolecularWeight: 389.486863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O2S/c1-25-18-6-4-17(5-7-18)22-20(27)24-11-9-23(10-12-24)14-15-13-16(21)3-8-19(15)26-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,27)