(2S)-2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide

Systemtic Name: (2S)-2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide Openeye Name: (2S)-2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide CAS Name: (2S)-2-acetamido-3-[(4-chlorophenyl)thio]-N-[2-(1H-indol-3-yl)ethyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide Traditional Name: (2S)-2-acetamido-3-[(4-chlorophenyl)thio]-N-[2-(1H-indol-3-yl)ethyl]propionamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)Cl)C(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)Cl)C(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H22ClN3O2S/c1-14(26)25-20(13-28-17-8-6-16(22)7-9-17)21(27)23-11-10-15-12-24-19-5-3-2-4-18(15)19/h2-9,12,20,24H,10-11,13H2,1H3,(H,23,27)(H,25,26)/t20-/m1/s1