(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: (2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide Openeye Name: (2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(p-tolylmethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(9-ethyl-3-carbazolyl)thio]-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide Traditional Name: (2S)-2-acetamido-3-[(9-ethylcarbazol-3-yl)thio]-N-(4-methylbenzyl)propionamide Formula: C27H29N3O2S MolecularWeight: 459.60306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)SCC(C(=O)NCC3=CC=C(C=C3)C)NC(=O)C)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)SC[C@H](C(=O)NCC3=CC=C(C=C3)C)NC(=O)C)C4=CC=CC=C41

InChI

InChI=1S/C27H29N3O2S/c1-4-30-25-8-6-5-7-22(25)23-15-21(13-14-26(23)30)33-17-24(29-19(3)31)27(32)28-16-20-11-9-18(2)10-12-20/h5-15,24H,4,16-17H2,1-3H3,(H,28,32)(H,29,31)/t24-/m1/s1