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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: (2R)-2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]-N-piperonyl-propionamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=CN3C4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-14(20(25)23-12-15-3-8-18-19(11-15)28-13-27-18)29-21-22-9-10-24(21)16-4-6-17(26-2)7-5-16/h3-11,14H,12-13H2,1-2H3,(H,23,25)/t14-/m1/s1