N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxamide

Systemtic Name: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxamide Openeye Name: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dioxo-2-phenethyl-isoindoline-5-carboxamide CAS Name: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dioxo-2-phenethyl-5-isoindolecarboxamide IUPAC Name: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dioxo-2-phenethylisoindole-5-carboxamide Traditional Name: 1,3-diketo-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenethyl-isoindoline-5-carboxamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

Isomeric SMILES

COCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O4S/c1-29-12-17-23-24-21(30-17)22-18(26)14-7-8-15-16(11-14)20(28)25(19(15)27)10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,22,24,26)