(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(9-ethyl-3-carbazolyl)thio]-N-(2-hydroxyethyl)-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(9-ethylcarbazol-3-yl)thio]-N-(2-hydroxyethyl)propionamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)SCC(C(=O)N(CCO)CC3=CC=CC=C3)NC(=O)C)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)SC[C@H](C(=O)N(CCO)CC3=CC=CC=C3)NC(=O)C)C4=CC=CC=C41

InChI

InChI=1S/C28H31N3O3S/c1-3-31-26-12-8-7-11-23(26)24-17-22(13-14-27(24)31)35-19-25(29-20(2)33)28(34)30(15-16-32)18-21-9-5-4-6-10-21/h4-14,17,25,32H,3,15-16,18-19H2,1-2H3,(H,29,33)/t25-/m1/s1