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

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-(4-chlorophenyl)ethanamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-(4-chlorophenyl)acetamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-2-(4-chlorophenyl)acetamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-2-(4-chlorophenyl)acetamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-2-(4-chlorophenyl)acetamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3S/c1-3-4-11-27-18-10-7-16(12-19(18)26-2)14-23-21(28)24-20(25)13-15-5-8-17(22)9-6-15/h5-10,12H,3-4,11,13-14H2,1-2H3,(H2,23,24,25,28)