1-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-[(2-morpholin-4-ylpyridin-3-yl)methyl]urea

Systemtic Name: 1-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-[(2-morpholin-4-ylpyridin-3-yl)methyl]urea Openeye Name: 1-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-[(2-morpholino-3-pyridyl)methyl]urea CAS Name: 1-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-[[2-(4-morpholinyl)-3-pyridinyl]methyl]urea IUPAC Name: 1-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-[(2-morpholin-4-ylpyridin-3-yl)methyl]urea Traditional Name: 1-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-[(2-morpholino-3-pyridyl)methyl]urea Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)NCC2=C(N=CC=C2)N3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)NCC2=C(N=CC=C2)N3CCOCC3)C

InChI

InChI=1S/C21H28N4O2S/c1-16-5-6-19(14-17(16)2)28-13-8-23-21(26)24-15-18-4-3-7-22-20(18)25-9-11-27-12-10-25/h3-7,14H,8-13,15H2,1-2H3,(H2,23,24,26)