(2S)-2-[2-(4-tert-butylphenyl)sulfanylethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-(4-tert-butylphenyl)sulfanylethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[(4-tert-butylphenyl)thio]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[(4-tert-butylphenyl)thio]acetyl]amino]-N-propyl-propionamide Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CSC1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CSC1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C18H28N2O2S/c1-6-11-19-17(22)13(2)20-16(21)12-23-15-9-7-14(8-10-15)18(3,4)5/h7-10,13H,6,11-12H2,1-5H3,(H,19,22)(H,20,21)/t13-/m0/s1