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

Systemtic Name: (3-oxidanylidene-3-phenoxathiin-2-yl-1-phenyl-propyl) N-cyclohexylcarbamodithioate Openeye Name: (3-oxo-3-phenoxathiin-2-yl-1-phenyl-propyl) N-cyclohexylcarbamodithioate CAS Name: N-cyclohexylcarbamodithioic acid [3-oxo-3-(2-phenoxathiinyl)-1-phenylpropyl] ester IUPAC Name: (3-oxo-3-phenoxathiin-2-yl-1-phenylpropyl) N-cyclohexylcarbamodithioate Traditional Name: N-cyclohexylcarbamodithioic acid (3-keto-3-phenoxathiin-2-yl-1-phenyl-propyl) ester Formula: C28H27NO2S3 MolecularWeight: 505.71448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)SC(CC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=S)SC(CC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C28H27NO2S3/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/h1,3-4,7-10,13-17,21,26H,2,5-6,11-12,18H2,(H,29,32)