(2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(4-butylphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(4-butylphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(4-butylphenyl)thio]propionamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)NCC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@H](C(=O)NCC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C22H28N2O2S/c1-3-4-8-18-11-13-20(14-12-18)27-16-21(24-17(2)25)22(26)23-15-19-9-6-5-7-10-19/h5-7,9-14,21H,3-4,8,15-16H2,1-2H3,(H,23,26)(H,24,25)/t21-/m1/s1