7-[2-(1-azanylcyclohexyl)ethynyl]-1-methoxy-thioxanthen-9-one

Systemtic Name: 7-[2-(1-azanylcyclohexyl)ethynyl]-1-methoxy-thioxanthen-9-one Openeye Name: 7-[2-(1-aminocyclohexyl)ethynyl]-1-methoxy-thioxanthen-9-one CAS Name: 7-[2-(1-aminocyclohexyl)ethynyl]-1-methoxy-9-thioxanthenone IUPAC Name: 7-[2-(1-aminocyclohexyl)ethynyl]-1-methoxythioxanthen-9-one Traditional Name: 7-[2-(1-aminocyclohexyl)ethynyl]-1-methoxy-thioxanthen-9-one Formula: C22H21NO2S MolecularWeight: 363.47264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC3=C(C2=O)C=C(C=C3)C#CC4(CCCCC4)N

Isomeric SMILES

COC1=C2C(=CC=C1)SC3=C(C2=O)C=C(C=C3)C#CC4(CCCCC4)N

InChI

InChI=1S/C22H21NO2S/c1-25-17-6-5-7-19-20(17)21(24)16-14-15(8-9-18(16)26-19)10-13-22(23)11-3-2-4-12-22/h5-9,14H,2-4,11-12,23H2,1H3