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

Systemtic Name: (2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide Openeye Name: (2S)-2-acetamido-3-(3-chloro-4-methyl-phenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide CAS Name: (2S)-2-acetamido-3-[(3-chloro-4-methylphenyl)thio]-N-[2-(1H-indol-3-yl)ethyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(3-chloro-4-methylphenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide Traditional Name: (2S)-2-acetamido-3-[(3-chloro-4-methyl-phenyl)thio]-N-[2-(1H-indol-3-yl)ethyl]propionamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O2S/c1-14-7-8-17(11-19(14)23)29-13-21(26-15(2)27)22(28)24-10-9-16-12-25-20-6-4-3-5-18(16)20/h3-8,11-12,21,25H,9-10,13H2,1-2H3,(H,24,28)(H,26,27)/t21-/m1/s1