1,2,5-thiadiazol-3-yl 2-(2-isoquinolin-7-yloxyethoxy)piperazine-1-carboxylate

Systemtic Name: 1,2,5-thiadiazol-3-yl 2-(2-isoquinolin-7-yloxyethoxy)piperazine-1-carboxylate Openeye Name: 1,2,5-thiadiazol-3-yl 2-[2-(7-isoquinolyloxy)ethoxy]piperazine-1-carboxylate CAS Name: 2-[2-(7-isoquinolinyloxy)ethoxy]-1-piperazinecarboxylic acid 1,2,5-thiadiazol-3-yl ester IUPAC Name: 1,2,5-thiadiazol-3-yl 2-(2-isoquinolin-7-yloxyethoxy)piperazine-1-carboxylate Traditional Name: 2-[2-(7-isoquinolyloxy)ethoxy]piperazine-1-carboxylic acid 1,2,5-thiadiazol-3-yl ester Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)OCCOC2=CC3=C(C=C2)C=CN=C3)C(=O)OC4=NSN=C4

Isomeric SMILES

C1CN(C(CN1)OCCOC2=CC3=C(C=C2)C=CN=C3)C(=O)OC4=NSN=C4

InChI

InChI=1S/C18H19N5O4S/c24-18(27-16-11-21-28-22-16)23-6-5-20-12-17(23)26-8-7-25-15-2-1-13-3-4-19-10-14(13)9-15/h1-4,9-11,17,20H,5-8,12H2