1-(4-azanylbutyl)-3-[2-(3-cyclopentyloxy-4-methoxy-phenyl)-4-phenyl-but-3-ynyl]thiourea

Systemtic Name: 1-(4-azanylbutyl)-3-[2-(3-cyclopentyloxy-4-methoxy-phenyl)-4-phenyl-but-3-ynyl]thiourea Openeye Name: 1-(4-aminobutyl)-3-[2-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-phenyl-but-3-ynyl]thiourea CAS Name: 1-(4-aminobutyl)-3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]thiourea IUPAC Name: 1-(4-aminobutyl)-3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]thiourea Traditional Name: 1-(4-aminobutyl)-3-[2-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-phenyl-but-3-ynyl]thiourea Formula: C27H35N3O2S MolecularWeight: 465.6507

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC(=S)NCCCCN)C#CC2=CC=CC=C2)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(CNC(=S)NCCCCN)C#CC2=CC=CC=C2)OC3CCCC3

InChI

InChI=1S/C27H35N3O2S/c1-31-25-16-15-22(19-26(25)32-24-11-5-6-12-24)23(14-13-21-9-3-2-4-10-21)20-30-27(33)29-18-8-7-17-28/h2-4,9-10,15-16,19,23-24H,5-8,11-12,17-18,20,28H2,1H3,(H2,29,30,33)