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

Systemtic Name: [1-(4-chlorophenyl)-3-oxidanylidene-3-phenoxathiin-2-yl-propyl] N-propylcarbamodithioate Openeye Name: [1-(4-chlorophenyl)-3-oxo-3-phenoxathiin-2-yl-propyl] N-propylcarbamodithioate CAS Name: N-propylcarbamodithioic acid [1-(4-chlorophenyl)-3-oxo-3-(2-phenoxathiinyl)propyl] ester IUPAC Name: [1-(4-chlorophenyl)-3-oxo-3-phenoxathiin-2-ylpropyl] N-propylcarbamodithioate Traditional Name: N-propylcarbamodithioic acid [1-(4-chlorophenyl)-3-keto-3-phenoxathiin-2-yl-propyl] ester Formula: C25H22ClNO2S3 MolecularWeight: 500.09568

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClNO2S3/c1-2-13-27-25(30)32-23(16-7-10-18(26)11-8-16)15-19(28)17-9-12-21-24(14-17)31-22-6-4-3-5-20(22)29-21/h3-12,14,23H,2,13,15H2,1H3,(H,27,30)