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

Systemtic Name: [1-(4-chlorophenyl)-3-oxidanylidene-3-phenoxathiin-2-yl-propyl] N,N-diethylcarbamodithioate Openeye Name: [1-(4-chlorophenyl)-3-oxo-3-phenoxathiin-2-yl-propyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [1-(4-chlorophenyl)-3-oxo-3-(2-phenoxathiinyl)propyl] ester IUPAC Name: [1-(4-chlorophenyl)-3-oxo-3-phenoxathiin-2-ylpropyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [1-(4-chlorophenyl)-3-keto-3-phenoxathiin-2-yl-propyl] ester Formula: C26H24ClNO2S3 MolecularWeight: 514.12226

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClNO2S3/c1-3-28(4-2)26(31)33-24(17-9-12-19(27)13-10-17)16-20(29)18-11-14-22-25(15-18)32-23-8-6-5-7-21(23)30-22/h5-15,24H,3-4,16H2,1-2H3