1-(5-cyano-1-benzothiophen-2-yl)-1-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butyl]urea

Systemtic Name: 1-(5-cyano-1-benzothiophen-2-yl)-1-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butyl]urea Openeye Name: 1-[4-(4-chroman-8-ylpiperazin-1-yl)butyl]-1-(5-cyanobenzothiophen-2-yl)urea CAS Name: 1-(5-cyano-1-benzothiophen-2-yl)-1-[4-[4-(3,4-dihydro-2H-1-benzopyran-8-yl)-1-piperazinyl]butyl]urea IUPAC Name: 1-(5-cyano-1-benzothiophen-2-yl)-1-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butyl]urea Traditional Name: 1-[4-(4-chroman-8-ylpiperazino)butyl]-1-(5-cyanobenzothiophen-2-yl)urea Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC=C2)N3CCN(CC3)CCCCN(C4=CC5=C(S4)C=CC(=C5)C#N)C(=O)N)OC1

Isomeric SMILES

C1CC2=C(C(=CC=C2)N3CCN(CC3)CCCCN(C4=CC5=C(S4)C=CC(=C5)C#N)C(=O)N)OC1

InChI

InChI=1S/C27H31N5O2S/c28-19-20-8-9-24-22(17-20)18-25(35-24)32(27(29)33)11-2-1-10-30-12-14-31(15-13-30)23-7-3-5-21-6-4-16-34-26(21)23/h3,5,7-9,17-18H,1-2,4,6,10-16H2,(H2,29,33)