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

Systemtic Name: N-[3-(cyclopropylcarbamoyl)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[3-(cyclopropylcarbamoyl)-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-[(cyclopropylamino)-oxomethyl]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-(cyclopropylcarbamoyl)-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-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-2-furamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3CC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3CC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5S/c1-4-22(2,3)12-5-8-14-16(11-12)31-21(18(14)20(27)23-13-6-7-13)24-19(26)15-9-10-17(30-15)25(28)29/h9-10,12-13H,4-8,11H2,1-3H3,(H,23,27)(H,24,26)