1-[3-(3-methylphenoxy)-2-oxidanyl-propyl]-3-pyridin-3-yl-thiourea

Systemtic Name: 1-[3-(3-methylphenoxy)-2-oxidanyl-propyl]-3-pyridin-3-yl-thiourea Openeye Name: 1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(3-pyridyl)thiourea CAS Name: 1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylthiourea Traditional Name: 1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(3-pyridyl)thiourea Formula: C16H19N3O2S MolecularWeight: 317.40596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CNC(=S)NC2=CN=CC=C2)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CNC(=S)NC2=CN=CC=C2)O

InChI

InChI=1S/C16H19N3O2S/c1-12-4-2-6-15(8-12)21-11-14(20)10-18-16(22)19-13-5-3-7-17-9-13/h2-9,14,20H,10-11H2,1H3,(H2,18,19,22)