3-(azepan-1-ylcarbonyl)isothiochromen-1-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)isothiochromen-1-one Openeye Name: 3-(azepane-1-carbonyl)isothiochromen-1-one CAS Name: 3-[1-azepanyl(oxo)methyl]-2-benzothiopyran-1-one IUPAC Name: 3-(azepane-1-carbonyl)isothiochromen-1-one Traditional Name: 3-(azepane-1-carbonyl)isothiochromen-1-one Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC3=CC=CC=C3C(=O)S2

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC3=CC=CC=C3C(=O)S2

InChI

InChI=1S/C16H17NO2S/c18-15(17-9-5-1-2-6-10-17)14-11-12-7-3-4-8-13(12)16(19)20-14/h3-4,7-8,11H,1-2,5-6,9-10H2