1-[3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]carbonylphenyl]urea

Systemtic Name: 1-[3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]carbonylphenyl]urea Openeye Name: [3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]urea CAS Name: [3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-oxomethyl]phenyl]urea IUPAC Name: [3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]urea Traditional Name: [3-(4-piazthiol-4-ylsulfonylpiperazine-1-carbonyl)phenyl]urea Formula: C18H18N6O4S2 MolecularWeight: 446.50332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)NC(=O)N)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)NC(=O)N)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H18N6O4S2/c19-18(26)20-13-4-1-3-12(11-13)17(25)23-7-9-24(10-8-23)30(27,28)15-6-2-5-14-16(15)22-29-21-14/h1-6,11H,7-10H2,(H3,19,20,26)