(3-oxidanylidene-3-phenoxathiin-2-yl-1-phenyl-propyl) N,N-diethylcarbamodithioate

Systemtic Name: (3-oxidanylidene-3-phenoxathiin-2-yl-1-phenyl-propyl) N,N-diethylcarbamodithioate Openeye Name: (3-oxo-3-phenoxathiin-2-yl-1-phenyl-propyl) N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [3-oxo-3-(2-phenoxathiinyl)-1-phenylpropyl] ester IUPAC Name: (3-oxo-3-phenoxathiin-2-yl-1-phenylpropyl) N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (3-keto-3-phenoxathiin-2-yl-1-phenyl-propyl) ester Formula: C26H25NO2S3 MolecularWeight: 479.6772

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC(CC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=S)SC(CC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C26H25NO2S3/c1-3-27(4-2)26(30)32-24(18-10-6-5-7-11-18)17-20(28)19-14-15-22-25(16-19)31-23-13-9-8-12-21(23)29-22/h5-16,24H,3-4,17H2,1-2H3