9,10,10-tris(oxidanylidene)-N-(phenylmethyl)-6-(3-propan-2-ylphenyl)thioxanthene-1-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-(phenylmethyl)-6-(3-propan-2-ylphenyl)thioxanthene-1-carboxamide Openeye Name: N-benzyl-6-(3-isopropylphenyl)-9,10,10-trioxo-thioxanthene-1-carboxamide CAS Name: 9,10,10-trioxo-N-(phenylmethyl)-6-(3-propan-2-ylphenyl)-1-thioxanthenecarboxamide IUPAC Name: N-benzyl-9,10,10-trioxo-6-(3-propan-2-ylphenyl)thioxanthene-1-carboxamide Traditional Name: N-benzyl-9,10,10-triketo-6-m-cumenyl-thioxanthene-1-carboxamide Formula: C30H25NO4S MolecularWeight: 495.5888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1)C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=CC(=C1)C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C30H25NO4S/c1-19(2)21-10-6-11-22(16-21)23-14-15-24-27(17-23)36(34,35)26-13-7-12-25(28(26)29(24)32)30(33)31-18-20-8-4-3-5-9-20/h3-17,19H,18H2,1-2H3,(H,31,33)