N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-fluoro-benzamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-4-fluorobenzamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-4-fluoro-benzamide Formula: C20H23FN2O3S MolecularWeight: 390.471623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC=C(C=C2)F)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC=C(C=C2)F)OC

InChI

InChI=1S/C20H23FN2O3S/c1-3-4-11-26-17-10-5-14(12-18(17)25-2)13-22-20(27)23-19(24)15-6-8-16(21)9-7-15/h5-10,12H,3-4,11,13H2,1-2H3,(H2,22,23,24,27)