(phenylmethyl) 4-imidazo[2,1-b][1,3,5]benzothiadiazepin-5-ylpiperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-imidazo[2,1-b][1,3,5]benzothiadiazepin-5-ylpiperazine-1-carboxylate Openeye Name: benzyl 4-imidazo[2,1-b][1,3,5]benzothiadiazepin-5-ylpiperazine-1-carboxylate CAS Name: 4-(5-imidazo[2,1-b][1,3,5]benzothiadiazepinyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-imidazo[2,1-b][1,3,5]benzothiadiazepin-5-ylpiperazine-1-carboxylate Traditional Name: 4-imidazo[2,1-b][1,3,5]benzothiadiazepin-5-ylpiperazine-1-carboxylic acid benzyl ester Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3SC4=NC=CN24)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3SC4=NC=CN24)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C22H21N5O2S/c28-22(29-16-17-6-2-1-3-7-17)26-14-12-25(13-15-26)20-24-18-8-4-5-9-19(18)30-21-23-10-11-27(20)21/h1-11H,12-16H2