4-methyl-2-(2-phenylethanoylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 4-methyl-2-(2-phenylethanoylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-4-methyl-2-[(2-phenylacetyl)carbamothioylamino]thiophene-3-carboxamide CAS Name: 4-methyl-2-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-[(2-phenylacetyl)carbamothioylamino]thiophene-3-carboxamide Traditional Name: 5-benzyl-4-methyl-2-[(2-phenylacetyl)thiocarbamoylamino]thiophene-3-carboxamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2S2/c1-14-17(12-15-8-4-2-5-9-15)29-21(19(14)20(23)27)25-22(28)24-18(26)13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H2,23,27)(H2,24,25,26,28)