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

Systemtic Name: 1-(5-cyano-1-benzothiophen-2-yl)-1-[4-[4-(3,4-dihydro-2H-chromen-7-yl)piperazin-1-yl]butyl]urea Openeye Name: 1-[4-(4-chroman-7-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-7-yl)-1-piperazinyl]butyl]urea IUPAC Name: 1-(5-cyano-1-benzothiophen-2-yl)-1-[4-[4-(3,4-dihydro-2H-chromen-7-yl)piperazin-1-yl]butyl]urea Traditional Name: 1-[4-(4-chroman-7-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=C(C=C2)N3CCN(CC3)CCCCN(C4=CC5=C(S4)C=CC(=C5)C#N)C(=O)N)OC1

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O2S/c28-19-20-5-8-25-22(16-20)17-26(35-25)32(27(29)33)10-2-1-9-30-11-13-31(14-12-30)23-7-6-21-4-3-15-34-24(21)18-23/h5-8,16-18H,1-4,9-15H2,(H2,29,33)