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

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C27H30N2O3S MolecularWeight: 462.6037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C27H30N2O3S/c1-3-4-17-32-23-16-15-20(18-24(23)31-2)19-28-27(33)29-26(30)25(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,18,25H,3-4,17,19H2,1-2H3,(H2,28,29,30,33)