3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide

Systemtic Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide Openeye Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide CAS Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide IUPAC Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide Traditional Name: N-(2-keto-1,3-dihydrobenzimidazol-5-yl)-3-(4-piazthiol-4-ylsulfonylpiperazino)propionamide Formula: C20H21N7O4S2 MolecularWeight: 487.55524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C20H21N7O4S2/c28-18(21-13-4-5-14-16(12-13)23-20(29)22-14)6-7-26-8-10-27(11-9-26)33(30,31)17-3-1-2-15-19(17)25-32-24-15/h1-5,12H,6-11H2,(H,21,28)(H2,22,23,29)