(2S)-2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide

Systemtic Name: (2S)-2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide Openeye Name: (2S)-2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide CAS Name: (2S)-2-[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide Traditional Name: (2S)-2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]-N-p-phenetyl-propionamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=C(N2C3CCCC3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC(=C(N2C3CCCC3)C)C

InChI

InChI=1S/C21H29N3O2S/c1-5-26-19-12-10-17(11-13-19)23-20(25)16(4)27-21-22-14(2)15(3)24(21)18-8-6-7-9-18/h10-13,16,18H,5-9H2,1-4H3,(H,23,25)/t16-/m0/s1