3-[3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one

Systemtic Name: 3-[3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 3-[3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-oxo-propyl]quinazolin-4-one CAS Name: 3-[3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 3-[3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-(4-piazthiol-4-ylsulfonylpiperazino)propyl]quinazolin-4-one Formula: C21H20N6O4S2 MolecularWeight: 484.5513

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C=NC3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C=NC3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H20N6O4S2/c28-19(8-9-26-14-22-16-5-2-1-4-15(16)21(26)29)25-10-12-27(13-11-25)33(30,31)18-7-3-6-17-20(18)24-32-23-17/h1-7,14H,8-13H2