1-ethyl-3-[3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)carbonyl-1-benzothiophen-2-yl]urea

Systemtic Name: 1-ethyl-3-[3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)carbonyl-1-benzothiophen-2-yl]urea Openeye Name: 1-ethyl-3-[3-[4-(3-pyridylsulfonyl)piperazine-1-carbonyl]benzothiophen-2-yl]urea CAS Name: 1-ethyl-3-[3-[oxo-[4-(3-pyridinylsulfonyl)-1-piperazinyl]methyl]-1-benzothiophen-2-yl]urea IUPAC Name: 1-ethyl-3-[3-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)-1-benzothiophen-2-yl]urea Traditional Name: 1-ethyl-3-[3-[4-(3-pyridylsulfonyl)piperazine-1-carbonyl]benzothiophen-2-yl]urea Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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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=CN=CC=C4

Isomeric SMILES

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H23N5O4S2/c1-2-23-21(28)24-19-18(16-7-3-4-8-17(16)31-19)20(27)25-10-12-26(13-11-25)32(29,30)15-6-5-9-22-14-15/h3-9,14H,2,10-13H2,1H3,(H2,23,24,28)