1-ethyl-3-[3-(4-quinolin-8-ylsulfonylpiperazin-1-yl)carbonyl-1-benzothiophen-2-yl]urea

Systemtic Name: 1-ethyl-3-[3-(4-quinolin-8-ylsulfonylpiperazin-1-yl)carbonyl-1-benzothiophen-2-yl]urea Openeye Name: 1-ethyl-3-[3-[4-(8-quinolylsulfonyl)piperazine-1-carbonyl]benzothiophen-2-yl]urea CAS Name: 1-ethyl-3-[3-[oxo-[4-(8-quinolinylsulfonyl)-1-piperazinyl]methyl]-1-benzothiophen-2-yl]urea IUPAC Name: 1-ethyl-3-[3-(4-quinolin-8-ylsulfonylpiperazine-1-carbonyl)-1-benzothiophen-2-yl]urea Traditional Name: 1-ethyl-3-[3-[4-(8-quinolylsulfonyl)piperazine-1-carbonyl]benzothiophen-2-yl]urea Formula: C25H25N5O4S2 MolecularWeight: 523.6271

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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=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H25N5O4S2/c1-2-26-25(32)28-23-21(18-9-3-4-10-19(18)35-23)24(31)29-13-15-30(16-14-29)36(33,34)20-11-5-7-17-8-6-12-27-22(17)20/h3-12H,2,13-16H2,1H3,(H2,26,28,32)