9,10,10-tris(oxidanylidene)-N-[(1R)-1-pyridin-3-ylethyl]thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-[(1R)-1-pyridin-3-ylethyl]thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-[(1R)-1-(3-pyridyl)ethyl]thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[(1R)-1-(3-pyridinyl)ethyl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-[(1R)-1-pyridin-3-ylethyl]thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[(1R)-1-(3-pyridyl)ethyl]thioxanthene-3-carboxamide Formula: C21H16N2O4S MolecularWeight: 392.42774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C[C@H](C1=CN=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H16N2O4S/c1-13(15-5-4-10-22-12-15)23-21(25)14-8-9-17-19(11-14)28(26,27)18-7-3-2-6-16(18)20(17)24/h2-13H,1H3,(H,23,25)/t13-/m1/s1