10,10-bis(oxidanylidene)-3-[2-(phenylmethyl)pyrrolidin-1-yl]carbonyl-thioxanthen-9-one

Systemtic Name: 10,10-bis(oxidanylidene)-3-[2-(phenylmethyl)pyrrolidin-1-yl]carbonyl-thioxanthen-9-one Openeye Name: 3-(2-benzylpyrrolidine-1-carbonyl)-10,10-dioxo-thioxanthen-9-one CAS Name: 10,10-dioxo-3-[oxo-[2-(phenylmethyl)-1-pyrrolidinyl]methyl]-9-thioxanthenone IUPAC Name: 3-(2-benzylpyrrolidine-1-carbonyl)-10,10-dioxothioxanthen-9-one Traditional Name: 3-(2-benzylpyrrolidine-1-carbonyl)-10,10-diketo-thioxanthen-9-one Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)CC5=CC=CC=C5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H21NO4S/c27-24-20-10-4-5-11-22(20)31(29,30)23-16-18(12-13-21(23)24)25(28)26-14-6-9-19(26)15-17-7-2-1-3-8-17/h1-5,7-8,10-13,16,19H,6,9,14-15H2