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

Systemtic Name: 1-(2-azanylethyl)-3-[2-(3-cyclopentyloxy-4-methoxy-phenyl)-4-phenyl-but-3-ynyl]thiourea Openeye Name: 1-(2-aminoethyl)-3-[2-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-phenyl-but-3-ynyl]thiourea CAS Name: 1-(2-aminoethyl)-3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]thiourea IUPAC Name: 1-(2-aminoethyl)-3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]thiourea Traditional Name: 1-(2-aminoethyl)-3-[2-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-phenyl-but-3-ynyl]thiourea Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2S/c1-29-23-14-13-20(17-24(23)30-22-9-5-6-10-22)21(18-28-25(31)27-16-15-26)12-11-19-7-3-2-4-8-19/h2-4,7-8,13-14,17,21-22H,5-6,9-10,15-16,18,26H2,1H3,(H2,27,28,31)