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

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-(2-chlorophenyl)propanamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-(2-chlorophenyl)propanamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-3-(2-chlorophenyl)propanamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-3-(2-chlorophenyl)propanamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-3-(2-chlorophenyl)propionamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)CCC2=CC=CC=C2Cl)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)CCC2=CC=CC=C2Cl)OC

InChI

InChI=1S/C22H27ClN2O3S/c1-3-4-13-28-19-11-9-16(14-20(19)27-2)15-24-22(29)25-21(26)12-10-17-7-5-6-8-18(17)23/h5-9,11,14H,3-4,10,12-13,15H2,1-2H3,(H2,24,25,26,29)