N-[9,10,10-tris(oxidanylidene)-7-propyl-thioxanthen-3-yl]ethanamide

Systemtic Name: N-[9,10,10-tris(oxidanylidene)-7-propyl-thioxanthen-3-yl]ethanamide Openeye Name: N-(9,10,10-trioxo-7-propyl-thioxanthen-3-yl)acetamide CAS Name: N-(9,10,10-trioxo-7-propyl-3-thioxanthenyl)acetamide IUPAC Name: N-(9,10,10-trioxo-7-propylthioxanthen-3-yl)acetamide Traditional Name: N-(9,10,10-triketo-7-propyl-thioxanthen-3-yl)acetamide Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)NC(=O)C

Isomeric SMILES

CCCC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)NC(=O)C

InChI

InChI=1S/C18H17NO4S/c1-3-4-12-5-8-16-15(9-12)18(21)14-7-6-13(19-11(2)20)10-17(14)24(16,22)23/h5-10H,3-4H2,1-2H3,(H,19,20)