1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-(5-methyl-2-thienyl)butane-1,4-dione CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-4-(5-methyl-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Traditional Name: 1-(5-methyl-2-thienyl)-4-(4-piazthiol-4-ylsulfonylpiperazino)butane-1,4-dione Formula: C19H20N4O4S3 MolecularWeight: 464.5815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H20N4O4S3/c1-13-5-7-16(28-13)15(24)6-8-18(25)22-9-11-23(12-10-22)30(26,27)17-4-2-3-14-19(17)21-29-20-14/h2-5,7H,6,8-12H2,1H3