2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide

Systemtic Name: 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide Openeye Name: 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: 2-[[1-cyclopentyl-5-(hydroxymethyl)-2-imidazolyl]thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide IUPAC Name: 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-[(1-cyclopentyl-5-methylol-imidazol-2-yl)thio]-N-homoveratryl-acetamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=C(N2C3CCCC3)CO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=C(N2C3CCCC3)CO)OC

InChI

InChI=1S/C21H29N3O4S/c1-27-18-8-7-15(11-19(18)28-2)9-10-22-20(26)14-29-21-23-12-17(13-25)24(21)16-5-3-4-6-16/h7-8,11-12,16,25H,3-6,9-10,13-14H2,1-2H3,(H,22,26)