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

Systemtic Name: N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]-1,3-bis(oxidanylidene)-2-benzofuran-5-carboxamide Openeye Name: N-[5-(1-naphthylmethylamino)-1,3,4-thiadiazol-2-yl]-1,3-dioxo-isobenzofuran-5-carboxamide CAS Name: N-[5-(1-naphthalenylmethylamino)-1,3,4-thiadiazol-2-yl]-1,3-dioxo-5-isobenzofurancarboxamide IUPAC Name: N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]-1,3-dioxo-2-benzofuran-5-carboxamide Traditional Name: 1,3-diketo-N-[5-(1-naphthylmethylamino)-1,3,4-thiadiazol-2-yl]phthalan-5-carboxamide Formula: C22H14N4O4S MolecularWeight: 430.43596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CNC3=NN=C(S3)NC(=O)C4=CC5=C(C=C4)C(=O)OC5=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CNC3=NN=C(S3)NC(=O)C4=CC5=C(C=C4)C(=O)OC5=O

InChI

InChI=1S/C22H14N4O4S/c27-18(13-8-9-16-17(10-13)20(29)30-19(16)28)24-22-26-25-21(31-22)23-11-14-6-3-5-12-4-1-2-7-15(12)14/h1-10H,11H2,(H,23,25)(H,24,26,27)