1,3-bis(oxidanylidene)-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]-2-benzofuran-5-carboxamide

Systemtic Name: 1,3-bis(oxidanylidene)-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]-2-benzofuran-5-carboxamide Openeye Name: 1,3-dioxo-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]isobenzofuran-5-carboxamide CAS Name: 1,3-dioxo-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]-5-isobenzofurancarboxamide IUPAC Name: 1,3-dioxo-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]-2-benzofuran-5-carboxamide Traditional Name: 1,3-diketo-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]phthalan-5-carboxamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)OC3=O

Isomeric SMILES

CCCCCCCCCCCNC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)OC3=O

InChI

InChI=1S/C22H28N4O4S/c1-2-3-4-5-6-7-8-9-10-13-23-21-25-26-22(31-21)24-18(27)15-11-12-16-17(14-15)20(29)30-19(16)28/h11-12,14H,2-10,13H2,1H3,(H,23,25)(H,24,26,27)