N-(cyclopropylmethyl)-9,10,10-tris(oxidanylidene)-6-pyrrolidin-1-yl-thioxanthene-1-carboxamide

Systemtic Name: N-(cyclopropylmethyl)-9,10,10-tris(oxidanylidene)-6-pyrrolidin-1-yl-thioxanthene-1-carboxamide Openeye Name: N-(cyclopropylmethyl)-9,10,10-trioxo-6-pyrrolidin-1-yl-thioxanthene-1-carboxamide CAS Name: N-(cyclopropylmethyl)-9,10,10-trioxo-6-(1-pyrrolidinyl)-1-thioxanthenecarboxamide IUPAC Name: N-(cyclopropylmethyl)-9,10,10-trioxo-6-pyrrolidin-1-ylthioxanthene-1-carboxamide Traditional Name: N-(cyclopropylmethyl)-9,10,10-triketo-6-pyrrolidino-thioxanthene-1-carboxamide Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)NCC5CC5

Isomeric SMILES

C1CCN(C1)C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)NCC5CC5

InChI

InChI=1S/C22H22N2O4S/c25-21-16-9-8-15(24-10-1-2-11-24)12-19(16)29(27,28)18-5-3-4-17(20(18)21)22(26)23-13-14-6-7-14/h3-5,8-9,12,14H,1-2,6-7,10-11,13H2,(H,23,26)