(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-ethyl-5-phenyl-2-imidazolyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(1-ethyl-5-phenyl-imidazol-2-yl)thio]-N-piperonyl-propionamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=CN=C1S[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-3-25-18(17-7-5-4-6-8-17)13-24-22(25)29-15(2)21(26)23-12-16-9-10-19-20(11-16)28-14-27-19/h4-11,13,15H,3,12,14H2,1-2H3,(H,23,26)/t15-/m1/s1