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

Systemtic Name: 1,3-bis(oxidanylidene)-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]-2-benzofuran-5-carboxamide Openeye Name: 1,3-dioxo-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]isobenzofuran-5-carboxamide CAS Name: 1,3-dioxo-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]-5-isobenzofurancarboxamide IUPAC Name: 1,3-dioxo-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]-2-benzofuran-5-carboxamide Traditional Name: 1,3-diketo-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]phthalan-5-carboxamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)OC4=O

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)OC4=O

InChI

InChI=1S/C21H18N4O4S/c26-17(14-9-10-15-16(12-14)19(28)29-18(15)27)23-21-25-24-20(30-21)22-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,22,24)(H,23,25,26)