3-[4-(phenylcarbonyl)piperazin-1-yl]carbonylisothiochromen-1-one

Systemtic Name: 3-[4-(phenylcarbonyl)piperazin-1-yl]carbonylisothiochromen-1-one Openeye Name: 3-(4-benzoylpiperazine-1-carbonyl)isothiochromen-1-one CAS Name: 3-[(4-benzoyl-1-piperazinyl)-oxomethyl]-2-benzothiopyran-1-one IUPAC Name: 3-(4-benzoylpiperazine-1-carbonyl)isothiochromen-1-one Traditional Name: 3-(4-benzoylpiperazine-1-carbonyl)isothiochromen-1-one Formula: C21H18N2O3S MolecularWeight: 378.44422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C(=O)S3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C(=O)S3

InChI

InChI=1S/C21H18N2O3S/c24-19(15-6-2-1-3-7-15)22-10-12-23(13-11-22)20(25)18-14-16-8-4-5-9-17(16)21(26)27-18/h1-9,14H,10-13H2