N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-phenyl-acetamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-2-phenylacetamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-2-phenyl-acetamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)CC2=CC=CC=C2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)CC2=CC=CC=C2)OC

InChI

InChI=1S/C21H26N2O3S/c1-3-4-12-26-18-11-10-17(13-19(18)25-2)15-22-21(27)23-20(24)14-16-8-6-5-7-9-16/h5-11,13H,3-4,12,14-15H2,1-2H3,(H2,22,23,24,27)