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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]-N-piperonyl-propionamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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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)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)S[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3)C4CCCC4)C

InChI

InChI=1S/C21H27N3O3S/c1-13-14(2)24(17-6-4-5-7-17)21(23-13)28-15(3)20(25)22-11-16-8-9-18-19(10-16)27-12-26-18/h8-10,15,17H,4-7,11-12H2,1-3H3,(H,22,25)/t15-/m1/s1