N-[9,10,10-tris(oxidanylidene)-6-propyl-thioxanthen-3-yl]ethanamide

Systemtic Name: N-[9,10,10-tris(oxidanylidene)-6-propyl-thioxanthen-3-yl]ethanamide Openeye Name: N-(9,10,10-trioxo-6-propyl-thioxanthen-3-yl)acetamide CAS Name: N-(9,10,10-trioxo-6-propyl-3-thioxanthenyl)acetamide IUPAC Name: N-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide Traditional Name: N-(9,10,10-triketo-6-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)C(=O)C3=C(S2(=O)=O)C=C(C=C3)NC(=O)C

Isomeric SMILES

CCCC1=CC2=C(C=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)NC(=O)C

InChI

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