(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-N-piperonyl-propionamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O3S/c1-14-10-18(17-6-4-3-5-7-17)25-22(24-14)29-15(2)21(26)23-12-16-8-9-19-20(11-16)28-13-27-19/h3-11,15H,12-13H2,1-2H3,(H,23,26)/t15-/m1/s1