2-[(3R,5S)-5-hexyl-2-oxidanylidene-oxolan-3-yl]-N-[(phenylmethyl)carbamothioyl]ethanamide

Systemtic Name: 2-[(3R,5S)-5-hexyl-2-oxidanylidene-oxolan-3-yl]-N-[(phenylmethyl)carbamothioyl]ethanamide Openeye Name: N-(benzylcarbamothioyl)-2-[(3R,5S)-5-hexyl-2-oxo-tetrahydrofuran-3-yl]acetamide CAS Name: 2-[(3R,5S)-5-hexyl-2-oxo-3-oxolanyl]-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: N-(benzylcarbamothioyl)-2-[(3R,5S)-5-hexyl-2-oxooxolan-3-yl]acetamide Traditional Name: N-(benzylthiocarbamoyl)-2-[(3R,5S)-5-hexyl-2-keto-tetrahydrofuran-3-yl]acetamide Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(C(=O)O1)CC(=O)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCCCCC[C@H]1C[C@@H](C(=O)O1)CC(=O)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C20H28N2O3S/c1-2-3-4-8-11-17-12-16(19(24)25-17)13-18(23)22-20(26)21-14-15-9-6-5-7-10-15/h5-7,9-10,16-17H,2-4,8,11-14H2,1H3,(H2,21,22,23,26)/t16-,17+/m1/s1