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

Systemtic Name: N-[5-(2-ethylhexylamino)-1,3,4-thiadiazol-2-yl]-1,3-bis(oxidanylidene)-2-benzofuran-5-carboxamide Openeye Name: N-[5-(2-ethylhexylamino)-1,3,4-thiadiazol-2-yl]-1,3-dioxo-isobenzofuran-5-carboxamide CAS Name: N-[5-(2-ethylhexylamino)-1,3,4-thiadiazol-2-yl]-1,3-dioxo-5-isobenzofurancarboxamide IUPAC Name: N-[5-(2-ethylhexylamino)-1,3,4-thiadiazol-2-yl]-1,3-dioxo-2-benzofuran-5-carboxamide Traditional Name: N-[5-(2-ethylhexylamino)-1,3,4-thiadiazol-2-yl]-1,3-diketo-phthalan-5-carboxamide Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)OC3=O

Isomeric SMILES

CCCCC(CC)CNC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)OC3=O

InChI

InChI=1S/C19H22N4O4S/c1-3-5-6-11(4-2)10-20-18-22-23-19(28-18)21-15(24)12-7-8-13-14(9-12)17(26)27-16(13)25/h7-9,11H,3-6,10H2,1-2H3,(H,20,22)(H,21,23,24)