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

Systemtic Name: 1-(3-azanylpropyl)-3-[2-(3-cyclopentyloxy-4-methoxy-phenyl)-4-phenyl-but-3-ynyl]thiourea Openeye Name: 1-(3-aminopropyl)-3-[2-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-phenyl-but-3-ynyl]thiourea CAS Name: 1-(3-aminopropyl)-3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]thiourea IUPAC Name: 1-(3-aminopropyl)-3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]thiourea Traditional Name: 1-(3-aminopropyl)-3-[2-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-phenyl-but-3-ynyl]thiourea Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O2S/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)19-29-26(32)28-17-7-16-27/h2-4,8-9,14-15,18,22-23H,5-7,10-11,16-17,19,27H2,1H3,(H2,28,29,32)