[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(5-methyl-4-propyl-thiophen-2-yl)methanone

Systemtic Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(5-methyl-4-propyl-thiophen-2-yl)methanone Openeye Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(5-methyl-4-propyl-2-thienyl)methanone CAS Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-(5-methyl-4-propyl-2-thiophenyl)methanone IUPAC Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone Traditional Name: (5-methyl-4-propyl-2-thienyl)-(4-piazthiol-4-ylsulfonylpiperazino)methanone Formula: C19H22N4O3S3 MolecularWeight: 450.59798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C

InChI

InChI=1S/C19H22N4O3S3/c1-3-5-14-12-16(27-13(14)2)19(24)22-8-10-23(11-9-22)29(25,26)17-7-4-6-15-18(17)21-28-20-15/h4,6-7,12H,3,5,8-11H2,1-2H3