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

Systemtic Name: 4-methyl-2-[2-(2-nitrophenoxy)propanoylamino]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-4-methyl-2-[2-(2-nitrophenoxy)propanoylamino]thiophene-3-carboxamide CAS Name: 4-methyl-2-[[2-(2-nitrophenoxy)-1-oxopropyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-[2-(2-nitrophenoxy)propanoylamino]thiophene-3-carboxamide Traditional Name: 5-benzyl-4-methyl-2-[2-(2-nitrophenoxy)propanoylamino]thiophene-3-carboxamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C(C)OC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C(C)OC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5S/c1-13-18(12-15-8-4-3-5-9-15)31-22(19(13)20(23)26)24-21(27)14(2)30-17-11-7-6-10-16(17)25(28)29/h3-11,14H,12H2,1-2H3,(H2,23,26)(H,24,27)