[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-oxo-2-(2-oxochromen-3-yl)ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxochromen-3-yl)ethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-keto-2-(2-ketochromen-3-yl)ethyl] ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C24H24N2O3S/c27-21(20-16-18-10-6-7-13-22(18)29-23(20)28)17-30-24(25-19-11-4-3-5-12-19)26-14-8-1-2-9-15-26/h3-7,10-13,16H,1-2,8-9,14-15,17H2