(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-isopropylphenyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-(4-propan-2-ylphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: (2R)-2-[(1-p-cumenylimidazol-2-yl)thio]-N-piperonyl-propionamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C=CN=C2SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=CN3C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C23H25N3O3S/c1-15(2)18-5-7-19(8-6-18)26-11-10-24-23(26)30-16(3)22(27)25-13-17-4-9-20-21(12-17)29-14-28-20/h4-12,15-16H,13-14H2,1-3H3,(H,25,27)/t16-/m1/s1