N-[3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[3-carbamoyl-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-(6-tert-amyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-nitro-2-furamide Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5S/c1-4-19(2,3)10-5-6-11-13(9-10)28-18(15(11)16(20)23)21-17(24)12-7-8-14(27-12)22(25)26/h7-8,10H,4-6,9H2,1-3H3,(H2,20,23)(H,21,24)