(2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide

Systemtic Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-p-anisyl-propionamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-4-5-6-18-9-13-21(14-10-18)29-16-22(25-17(2)26)23(27)24-15-19-7-11-20(28-3)12-8-19/h7-14,22H,4-6,15-16H2,1-3H3,(H,24,27)(H,25,26)/t22-/m1/s1