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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CN=CC=C3)C

InChI

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