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

Systemtic Name: N-[5-(cycloheptylamino)-1,3,4-thiadiazol-2-yl]-1,3-bis(oxidanylidene)-2-benzofuran-5-carboxamide Openeye Name: N-[5-(cycloheptylamino)-1,3,4-thiadiazol-2-yl]-1,3-dioxo-isobenzofuran-5-carboxamide CAS Name: N-[5-(cycloheptylamino)-1,3,4-thiadiazol-2-yl]-1,3-dioxo-5-isobenzofurancarboxamide IUPAC Name: N-[5-(cycloheptylamino)-1,3,4-thiadiazol-2-yl]-1,3-dioxo-2-benzofuran-5-carboxamide Traditional Name: N-[5-(cycloheptylamino)-1,3,4-thiadiazol-2-yl]-1,3-diketo-phthalan-5-carboxamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)OC4=O

Isomeric SMILES

C1CCCC(CC1)NC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)OC4=O

InChI

InChI=1S/C18H18N4O4S/c23-14(10-7-8-12-13(9-10)16(25)26-15(12)24)20-18-22-21-17(27-18)19-11-5-3-1-2-4-6-11/h7-9,11H,1-6H2,(H,19,21)(H,20,22,23)