N-[3-aminocarbonyl-4-(4-tert-butylphenyl)-5-methyl-thiophen-2-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[3-aminocarbonyl-4-(4-tert-butylphenyl)-5-methyl-thiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thienyl]-5-nitro-furan-2-carboxamide CAS Name: N-[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thiophenyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[4-(4-tert-butylphenyl)-3-carbamoyl-5-methylthiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thienyl]-5-nitro-2-furamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)N)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)N)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H21N3O5S/c1-11-16(12-5-7-13(8-6-12)21(2,3)4)17(18(22)25)20(30-11)23-19(26)14-9-10-15(29-14)24(27)28/h5-10H,1-4H3,(H2,22,25)(H,23,26)