4-methyl-2-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 4-methyl-2-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-4-methyl-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]thiophene-3-carboxamide CAS Name: 4-methyl-2-[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]thiophene-3-carboxamide Traditional Name: 5-benzyl-4-methyl-2-[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]thiophene-3-carboxamide Formula: C22H20N4O5S2 MolecularWeight: 484.548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H20N4O5S2/c1-13-17(11-14-5-3-2-4-6-14)33-21(19(13)20(23)28)25-22(32)24-18(27)12-31-16-9-7-15(8-10-16)26(29)30/h2-10H,11-12H2,1H3,(H2,23,28)(H2,24,25,27,32)