1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(6-ethynyl-1-benzothiophen-2-yl)urea

Systemtic Name: 1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(6-ethynyl-1-benzothiophen-2-yl)urea Openeye Name: 1-[4-[4-(2,3-dihydrobenzofuran-7-yl)piperazin-1-yl]butyl]-1-(6-ethynylbenzothiophen-2-yl)urea CAS Name: 1-[4-[4-(2,3-dihydrobenzofuran-7-yl)-1-piperazinyl]butyl]-1-(6-ethynyl-1-benzothiophen-2-yl)urea IUPAC Name: 1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(6-ethynyl-1-benzothiophen-2-yl)urea Traditional Name: 1-[4-(4-coumaran-7-ylpiperazino)butyl]-1-(6-ethynylbenzothiophen-2-yl)urea Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1)C=C(S2)N(CCCCN3CCN(CC3)C4=CC=CC5=C4OCC5)C(=O)N

Isomeric SMILES

C#CC1=CC2=C(C=C1)C=C(S2)N(CCCCN3CCN(CC3)C4=CC=CC5=C4OCC5)C(=O)N

InChI

InChI=1S/C27H30N4O2S/c1-2-20-8-9-22-19-25(34-24(22)18-20)31(27(28)32)12-4-3-11-29-13-15-30(16-14-29)23-7-5-6-21-10-17-33-26(21)23/h1,5-9,18-19H,3-4,10-17H2,(H2,28,32)