1-(5-cyano-1-benzothiophen-2-yl)-1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]urea

Systemtic Name: 1-(5-cyano-1-benzothiophen-2-yl)-1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]urea Openeye Name: 1-(5-cyanobenzothiophen-2-yl)-1-[4-[4-(2,3-dihydrobenzofuran-7-yl)piperazin-1-yl]butyl]urea CAS Name: 1-(5-cyano-1-benzothiophen-2-yl)-1-[4-[4-(2,3-dihydrobenzofuran-7-yl)-1-piperazinyl]butyl]urea IUPAC Name: 1-(5-cyano-1-benzothiophen-2-yl)-1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]urea Traditional Name: 1-[4-(4-coumaran-7-ylpiperazino)butyl]-1-(5-cyanobenzothiophen-2-yl)urea Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=CC=C2N3CCN(CC3)CCCCN(C4=CC5=C(S4)C=CC(=C5)C#N)C(=O)N

Isomeric SMILES

C1COC2=C1C=CC=C2N3CCN(CC3)CCCCN(C4=CC5=C(S4)C=CC(=C5)C#N)C(=O)N

InChI

InChI=1S/C26H29N5O2S/c27-18-19-6-7-23-21(16-19)17-24(34-23)31(26(28)32)10-2-1-9-29-11-13-30(14-12-29)22-5-3-4-20-8-15-33-25(20)22/h3-7,16-17H,1-2,8-15H2,(H2,28,32)