N-cyclopropyl-9,10,10-tris(oxidanylidene)-N-pentan-3-yl-thioxanthene-3-carboxamide

Systemtic Name: N-cyclopropyl-9,10,10-tris(oxidanylidene)-N-pentan-3-yl-thioxanthene-3-carboxamide Openeye Name: N-cyclopropyl-N-(1-ethylpropyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-cyclopropyl-9,10,10-trioxo-N-pentan-3-yl-3-thioxanthenecarboxamide IUPAC Name: N-cyclopropyl-9,10,10-trioxo-N-pentan-3-ylthioxanthene-3-carboxamide Traditional Name: N-cyclopropyl-N-(1-ethylpropyl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N(C1CC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCC(CC)N(C1CC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H23NO4S/c1-3-15(4-2)23(16-10-11-16)22(25)14-9-12-18-20(13-14)28(26,27)19-8-6-5-7-17(19)21(18)24/h5-9,12-13,15-16H,3-4,10-11H2,1-2H3