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

Systemtic Name: N-(4-ethoxyphenyl)-4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(5-fluoro-2-methoxy-benzyl)-N-p-phenetyl-piperazine-1-carbothioamide Formula: C21H26FN3O2S MolecularWeight: 403.513443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=C(C=CC(=C3)F)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C21H26FN3O2S/c1-3-27-19-7-5-18(6-8-19)23-21(28)25-12-10-24(11-13-25)15-16-14-17(22)4-9-20(16)26-2/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,28)