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

Systemtic Name: 3-(3,4-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(3,4-dimethylphenyl)-1-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(3,4-dimethylphenyl)-1-[3-(4-morpholinyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(3,4-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(3,4-dimethylphenyl)-1-(3-morpholinopropyl)-1-(4-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=CC=NC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4OS/c1-18-4-5-21(16-19(18)2)24-22(28)26(17-20-6-8-23-9-7-20)11-3-10-25-12-14-27-15-13-25/h4-9,16H,3,10-15,17H2,1-2H3,(H,24,28)