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

Systemtic Name: (3-oxidanylidene-3-phenoxathiin-2-yl-1-phenyl-propyl) N-propylcarbamodithioate Openeye Name: (3-oxo-3-phenoxathiin-2-yl-1-phenyl-propyl) N-propylcarbamodithioate CAS Name: N-propylcarbamodithioic acid [3-oxo-3-(2-phenoxathiinyl)-1-phenylpropyl] ester IUPAC Name: (3-oxo-3-phenoxathiin-2-yl-1-phenylpropyl) N-propylcarbamodithioate Traditional Name: N-propylcarbamodithioic acid (3-keto-3-phenoxathiin-2-yl-1-phenyl-propyl) ester Formula: C25H23NO2S3 MolecularWeight: 465.65062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO2S3/c1-2-14-26-25(29)31-23(17-8-4-3-5-9-17)16-19(27)18-12-13-21-24(15-18)30-22-11-7-6-10-20(22)28-21/h3-13,15,23H,2,14,16H2,1H3,(H,26,29)