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

Systemtic Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-(p-tolylsulfanyl)propanamide CAS Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-[(4-methylphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-(p-tolylthio)propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)NCCC2=CNC3=CC=CC=C32)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C(=O)NCCC2=CNC3=CC=CC=C32)NC(=O)C

InChI

InChI=1S/C22H25N3O2S/c1-15-7-9-18(10-8-15)28-14-21(25-16(2)26)22(27)23-12-11-17-13-24-20-6-4-3-5-19(17)20/h3-10,13,21,24H,11-12,14H2,1-2H3,(H,23,27)(H,25,26)/t21-/m1/s1