1-[3-[4-(2,1,3-benzothiadiazol-5-ylsulfonyl)piperazin-1-yl]carbonyl-1-benzothiophen-2-yl]-3-ethyl-urea

Systemtic Name: 1-[3-[4-(2,1,3-benzothiadiazol-5-ylsulfonyl)piperazin-1-yl]carbonyl-1-benzothiophen-2-yl]-3-ethyl-urea Openeye Name: 1-[3-[4-(2,1,3-benzothiadiazol-5-ylsulfonyl)piperazine-1-carbonyl]benzothiophen-2-yl]-3-ethyl-urea CAS Name: 1-[3-[[4-(2,1,3-benzothiadiazol-5-ylsulfonyl)-1-piperazinyl]-oxomethyl]-1-benzothiophen-2-yl]-3-ethylurea IUPAC Name: 1-[3-[4-(2,1,3-benzothiadiazol-5-ylsulfonyl)piperazine-1-carbonyl]-1-benzothiophen-2-yl]-3-ethylurea Traditional Name: 1-ethyl-3-[3-(4-piazthiol-5-ylsulfonylpiperazine-1-carbonyl)benzothiophen-2-yl]urea Formula: C22H22N6O4S3 MolecularWeight: 530.64288

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C22H22N6O4S3/c1-2-23-22(30)24-20-19(15-5-3-4-6-18(15)33-20)21(29)27-9-11-28(12-10-27)35(31,32)14-7-8-16-17(13-14)26-34-25-16/h3-8,13H,2,9-12H2,1H3,(H2,23,24,30)