1-(4-methoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]thiourea

Systemtic Name: 1-(4-methoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]thiourea Openeye Name: 1-(4-methoxyphenyl)-3-[3-[3-(1-piperidylmethyl)phenoxy]propyl]thiourea CAS Name: 1-(4-methoxyphenyl)-3-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]thiourea Traditional Name: 1-(4-methoxyphenyl)-3-[3-[3-(piperidinomethyl)phenoxy]propyl]thiourea Formula: C23H31N3O2S MolecularWeight: 413.57614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C23H31N3O2S/c1-27-21-11-9-20(10-12-21)25-23(29)24-13-6-16-28-22-8-5-7-19(17-22)18-26-14-3-2-4-15-26/h5,7-12,17H,2-4,6,13-16,18H2,1H3,(H2,24,25,29)