1-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butyl]-1-(6-ethynyl-1-benzothiophen-2-yl)urea

Systemtic Name: 1-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butyl]-1-(6-ethynyl-1-benzothiophen-2-yl)urea Openeye Name: 1-[4-(4-chroman-8-ylpiperazin-1-yl)butyl]-1-(6-ethynylbenzothiophen-2-yl)urea CAS Name: 1-[4-[4-(3,4-dihydro-2H-1-benzopyran-8-yl)-1-piperazinyl]butyl]-1-(6-ethynyl-1-benzothiophen-2-yl)urea IUPAC Name: 1-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butyl]-1-(6-ethynyl-1-benzothiophen-2-yl)urea Traditional Name: 1-[4-(4-chroman-8-ylpiperazino)butyl]-1-(6-ethynylbenzothiophen-2-yl)urea Formula: C28H32N4O2S MolecularWeight: 488.64428

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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=C4OCCC5)C(=O)N

Isomeric SMILES

C#CC1=CC2=C(C=C1)C=C(S2)N(CCCCN3CCN(CC3)C4=CC=CC5=C4OCCC5)C(=O)N

InChI

InChI=1S/C28H32N4O2S/c1-2-21-10-11-23-20-26(35-25(23)19-21)32(28(29)33)13-4-3-12-30-14-16-31(17-15-30)24-9-5-7-22-8-6-18-34-27(22)24/h1,5,7,9-11,19-20H,3-4,6,8,12-18H2,(H2,29,33)