1-[4-[4-(3,4-dihydro-2H-chromen-7-yl)piperazin-1-yl]butyl]-1-(6-ethynyl-1-benzothiophen-2-yl)urea

Systemtic Name: 1-[4-[4-(3,4-dihydro-2H-chromen-7-yl)piperazin-1-yl]butyl]-1-(6-ethynyl-1-benzothiophen-2-yl)urea Openeye Name: 1-[4-(4-chroman-7-ylpiperazin-1-yl)butyl]-1-(6-ethynylbenzothiophen-2-yl)urea CAS Name: 1-[4-[4-(3,4-dihydro-2H-1-benzopyran-7-yl)-1-piperazinyl]butyl]-1-(6-ethynyl-1-benzothiophen-2-yl)urea IUPAC Name: 1-[4-[4-(3,4-dihydro-2H-chromen-7-yl)piperazin-1-yl]butyl]-1-(6-ethynyl-1-benzothiophen-2-yl)urea Traditional Name: 1-[4-(4-chroman-7-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=CC5=C(CCCO5)C=C4)C(=O)N

Isomeric SMILES

C#CC1=CC2=C(C=C1)C=C(S2)N(CCCCN3CCN(CC3)C4=CC5=C(CCCO5)C=C4)C(=O)N

InChI

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