(2S)-N-(9-ethylcarbazol-3-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(9-ethyl-3-carbazolyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)SC3=CC=CC=[N+]3[O-])C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)[C@H](C)SC3=CC=CC=[N+]3[O-])C4=CC=CC=C41

InChI

InChI=1S/C22H21N3O2S/c1-3-24-19-9-5-4-8-17(19)18-14-16(11-12-20(18)24)23-22(26)15(2)28-21-10-6-7-13-25(21)27/h4-15H,3H2,1-2H3,(H,23,26)/t15-/m0/s1