3-(1,3-benzodioxol-5-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]propionamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H21N3O3S/c1-14-11-15(2)24-22(23-14)29-18-7-5-17(6-8-18)25-21(26)10-4-16-3-9-19-20(12-16)28-13-27-19/h3,5-9,11-12H,4,10,13H2,1-2H3,(H,25,26)