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

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-phenyl-propanamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-phenyl-propanamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-3-phenylpropanamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-3-phenyl-propionamide Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)CCC2=CC=CC=C2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)CCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H28N2O3S/c1-3-4-14-27-19-12-10-18(15-20(19)26-2)16-23-22(28)24-21(25)13-11-17-8-6-5-7-9-17/h5-10,12,15H,3-4,11,13-14,16H2,1-2H3,(H2,23,24,25,28)