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

Systemtic Name: 3-(2,5-dimethylphenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(2,5-dimethylphenyl)-1-(2-morpholinoethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(2,5-dimethylphenyl)-1-[2-(4-morpholinyl)ethyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(2,5-dimethylphenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2,5-dimethylphenyl)-1-(2-morpholinoethyl)-1-(3-pyridylmethyl)thiourea Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N(CCN2CCOCC2)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N(CCN2CCOCC2)CC3=CN=CC=C3

InChI

InChI=1S/C21H28N4OS/c1-17-5-6-18(2)20(14-17)23-21(27)25(16-19-4-3-7-22-15-19)9-8-24-10-12-26-13-11-24/h3-7,14-15H,8-13,16H2,1-2H3,(H,23,27)