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

Systemtic Name: (3-oxidanylidene-3-phenoxathiin-2-yl-1-phenyl-propyl) N-phenylcarbamodithioate Openeye Name: (3-oxo-3-phenoxathiin-2-yl-1-phenyl-propyl) N-phenylcarbamodithioate CAS Name: N-phenylcarbamodithioic acid [3-oxo-3-(2-phenoxathiinyl)-1-phenylpropyl] ester IUPAC Name: (3-oxo-3-phenoxathiin-2-yl-1-phenylpropyl) N-phenylcarbamodithioate Traditional Name: N-phenylcarbamodithioic acid (3-keto-3-phenoxathiin-2-yl-1-phenyl-propyl) ester Formula: C28H21NO2S3 MolecularWeight: 499.66684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3)SC(=S)NC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3)SC(=S)NC5=CC=CC=C5

InChI

InChI=1S/C28H21NO2S3/c30-22(20-15-16-24-27(17-20)33-25-14-8-7-13-23(25)31-24)18-26(19-9-3-1-4-10-19)34-28(32)29-21-11-5-2-6-12-21/h1-17,26H,18H2,(H,29,32)