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

Systemtic Name: 1-(5-cyano-1-benzothiophen-2-yl)-1-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]urea Openeye Name: 1-(5-cyanobenzothiophen-2-yl)-1-[4-[4-(2,3-dihydrobenzofuran-5-yl)piperazin-1-yl]butyl]urea CAS Name: 1-(5-cyano-1-benzothiophen-2-yl)-1-[4-[4-(2,3-dihydrobenzofuran-5-yl)-1-piperazinyl]butyl]urea IUPAC Name: 1-(5-cyano-1-benzothiophen-2-yl)-1-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]urea Traditional Name: 1-[4-(4-coumaran-5-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=C(C=C2)N3CCN(CC3)CCCCN(C4=CC5=C(S4)C=CC(=C5)C#N)C(=O)N

Isomeric SMILES

C1COC2=C1C=C(C=C2)N3CCN(CC3)CCCCN(C4=CC5=C(S4)C=CC(=C5)C#N)C(=O)N

InChI

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