N-[3-(2,2-diphenylethanoylcarbamothioylamino)-2-methyl-phenyl]propanamide

Systemtic Name: N-[3-(2,2-diphenylethanoylcarbamothioylamino)-2-methyl-phenyl]propanamide Openeye Name: N-[3-[(2,2-diphenylacetyl)carbamothioylamino]-2-methyl-phenyl]propanamide CAS Name: N-[2-methyl-3-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]phenyl]propanamide IUPAC Name: N-[3-[(2,2-diphenylacetyl)carbamothioylamino]-2-methylphenyl]propanamide Traditional Name: N-[3-[(2,2-diphenylacetyl)thiocarbamoylamino]-2-methyl-phenyl]propionamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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