3-(3,5-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 3-(3,5-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 3-(3,5-dimethylphenyl)-1-(3-morpholinopropyl)-1-(2-pyridylmethyl)thiourea CAS Name: 3-(3,5-dimethylphenyl)-1-[3-(4-morpholinyl)propyl]-1-(2-pyridinylmethyl)thiourea IUPAC Name: 3-(3,5-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(3,5-dimethylphenyl)-1-(3-morpholinopropyl)-1-(2-pyridylmethyl)thiourea Formula: C22H30N4OS MolecularWeight: 398.5648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=N3)C

InChI

InChI=1S/C22H30N4OS/c1-18-14-19(2)16-21(15-18)24-22(28)26(17-20-6-3-4-7-23-20)9-5-8-25-10-12-27-13-11-25/h3-4,6-7,14-16H,5,8-13,17H2,1-2H3,(H,24,28)