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

Systemtic Name: 1-[2-(3-cyclopentyloxy-4-methoxy-phenyl)-4-phenyl-but-3-ynyl]thiourea Openeye Name: [2-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-phenyl-but-3-ynyl]thiourea CAS Name: [2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]thiourea IUPAC Name: [2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]thiourea Traditional Name: [2-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-phenyl-but-3-ynyl]thiourea Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O2S/c1-26-21-14-13-18(15-22(21)27-20-9-5-6-10-20)19(16-25-23(24)28)12-11-17-7-3-2-4-8-17/h2-4,7-8,13-15,19-20H,5-6,9-10,16H2,1H3,(H3,24,25,28)