[1-(4-chlorophenyl)-3-oxidanylidene-3-phenoxathiin-2-yl-propyl] N-cyclohexylcarbamodithioate

Systemtic Name: [1-(4-chlorophenyl)-3-oxidanylidene-3-phenoxathiin-2-yl-propyl] N-cyclohexylcarbamodithioate Openeye Name: [1-(4-chlorophenyl)-3-oxo-3-phenoxathiin-2-yl-propyl] N-cyclohexylcarbamodithioate CAS Name: N-cyclohexylcarbamodithioic acid [1-(4-chlorophenyl)-3-oxo-3-(2-phenoxathiinyl)propyl] ester IUPAC Name: [1-(4-chlorophenyl)-3-oxo-3-phenoxathiin-2-ylpropyl] N-cyclohexylcarbamodithioate Traditional Name: N-cyclohexylcarbamodithioic acid [1-(4-chlorophenyl)-3-keto-3-phenoxathiin-2-yl-propyl] ester Formula: C28H26ClNO2S3 MolecularWeight: 540.15954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26ClNO2S3/c29-20-13-10-18(11-14-20)26(35-28(33)30-21-6-2-1-3-7-21)17-22(31)19-12-15-24-27(16-19)34-25-9-5-4-8-23(25)32-24/h4-5,8-16,21,26H,1-3,6-7,17H2,(H,30,33)