9,10,10-tris(oxidanylidene)-N-prop-2-enyl-6-pyrrolidin-1-yl-thioxanthene-1-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-prop-2-enyl-6-pyrrolidin-1-yl-thioxanthene-1-carboxamide Openeye Name: N-allyl-9,10,10-trioxo-6-pyrrolidin-1-yl-thioxanthene-1-carboxamide CAS Name: 9,10,10-trioxo-N-prop-2-enyl-6-(1-pyrrolidinyl)-1-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-prop-2-enyl-6-pyrrolidin-1-ylthioxanthene-1-carboxamide Traditional Name: N-allyl-9,10,10-triketo-6-pyrrolidino-thioxanthene-1-carboxamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=C2C(=CC=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)N4CCCC4

Isomeric SMILES

C=CCNC(=O)C1=C2C(=CC=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)N4CCCC4

InChI

InChI=1S/C21H20N2O4S/c1-2-10-22-21(25)16-6-5-7-17-19(16)20(24)15-9-8-14(23-11-3-4-12-23)13-18(15)28(17,26)27/h2,5-9,13H,1,3-4,10-12H2,(H,22,25)