2-[3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-(4-piazthiol-4-ylsulfonylpiperazino)propanoylamino]thiophene-3-carboxamide Formula: C18H20N6O4S3 MolecularWeight: 480.5842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=C(C=CS2)C(=O)N)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=C(C=CS2)C(=O)N)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H20N6O4S3/c19-17(26)12-5-11-29-18(12)20-15(25)4-6-23-7-9-24(10-8-23)31(27,28)14-3-1-2-13-16(14)22-30-21-13/h1-3,5,11H,4,6-10H2,(H2,19,26)(H,20,25)