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

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-(2-methylphenyl)ethanamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-(o-tolyl)acetamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-2-(2-methylphenyl)acetamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-2-(2-methylphenyl)acetamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-2-(o-tolyl)acetamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)CC2=CC=CC=C2C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)CC2=CC=CC=C2C)OC

InChI

InChI=1S/C22H28N2O3S/c1-4-5-12-27-19-11-10-17(13-20(19)26-3)15-23-22(28)24-21(25)14-18-9-7-6-8-16(18)2/h6-11,13H,4-5,12,14-15H2,1-3H3,(H2,23,24,25,28)