N-[5-(2,2-diphenylethanoylcarbamothioylamino)-2-methyl-phenyl]propanamide

Systemtic Name: N-[5-(2,2-diphenylethanoylcarbamothioylamino)-2-methyl-phenyl]propanamide Openeye Name: N-[5-[(2,2-diphenylacetyl)carbamothioylamino]-2-methyl-phenyl]propanamide CAS Name: N-[2-methyl-5-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]phenyl]propanamide IUPAC Name: N-[5-[(2,2-diphenylacetyl)carbamothioylamino]-2-methylphenyl]propanamide Traditional Name: N-[5-[(2,2-diphenylacetyl)thiocarbamoylamino]-2-methyl-phenyl]propionamide Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C25H25N3O2S/c1-3-22(29)27-21-16-20(15-14-17(21)2)26-25(31)28-24(30)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,23H,3H2,1-2H3,(H,27,29)(H2,26,28,30,31)