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

Systemtic Name: 1-[2-(3-cyclopentyloxy-4-methoxy-phenyl)-4-phenyl-but-3-ynyl]-3-(3-oxidanylpropyl)thiourea Openeye Name: 1-[2-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-phenyl-but-3-ynyl]-3-(3-hydroxypropyl)thiourea CAS Name: 1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-3-(3-hydroxypropyl)thiourea IUPAC Name: 1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-3-(3-hydroxypropyl)thiourea Traditional Name: 1-[2-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-phenyl-but-3-ynyl]-3-(3-hydroxypropyl)thiourea Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3S/c1-30-24-15-14-21(18-25(24)31-23-10-5-6-11-23)22(13-12-20-8-3-2-4-9-20)19-28-26(32)27-16-7-17-29/h2-4,8-9,14-15,18,22-23,29H,5-7,10-11,16-17,19H2,1H3,(H2,27,28,32)