(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]-N-piperonyl-propionamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)S[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3)C4CCCCC4)C

InChI

InChI=1S/C22H29N3O3S/c1-14-15(2)25(18-7-5-4-6-8-18)22(24-14)29-16(3)21(26)23-12-17-9-10-19-20(11-17)28-13-27-19/h9-11,16,18H,4-8,12-13H2,1-3H3,(H,23,26)/t16-/m1/s1