3-(2-methoxy-4-methyl-phenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(2-methoxy-4-methyl-phenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(2-methoxy-4-methyl-phenyl)-1-(3-pyridylmethyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 3-(2-methoxy-4-methylphenyl)-1-(2-oxolanylmethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(2-methoxy-4-methylphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2-methoxy-4-methyl-phenyl)-1-(3-pyridylmethyl)-1-(tetrahydrofurfuryl)thiourea Formula: C20H25N3O2S MolecularWeight: 371.4964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N(CC2CCCO2)CC3=CN=CC=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N(CC2CCCO2)CC3=CN=CC=C3)OC

InChI

InChI=1S/C20H25N3O2S/c1-15-7-8-18(19(11-15)24-2)22-20(26)23(14-17-6-4-10-25-17)13-16-5-3-9-21-12-16/h3,5,7-9,11-12,17H,4,6,10,13-14H2,1-2H3,(H,22,26)