3-(3,4-dimethylphenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[(6-morpholino-3-pyridyl)methyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[[6-(4-morpholinyl)-3-pyridinyl]methyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-[(6-morpholino-3-pyridyl)methyl]propionamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NCC2=CN=C(C=C2)N3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NCC2=CN=C(C=C2)N3CCOCC3)C

InChI

InChI=1S/C21H27N3O2S/c1-16-3-5-19(13-17(16)2)27-12-7-21(25)23-15-18-4-6-20(22-14-18)24-8-10-26-11-9-24/h3-6,13-14H,7-12,15H2,1-2H3,(H,23,25)