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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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