4-phenoxybutylcarbamothioylsulfanyl N-(4-phenoxybutyl)carbamodithioate

Systemtic Name: 4-phenoxybutylcarbamothioylsulfanyl N-(4-phenoxybutyl)carbamodithioate Openeye Name: 4-phenoxybutylcarbamothioylsulfanyl N-(4-phenoxybutyl)carbamodithioate CAS Name: N-(4-phenoxybutyl)carbamodithioic acid [[(4-phenoxybutylamino)-sulfanylidenemethyl]thio] ester IUPAC Name: 4-phenoxybutylcarbamothioylsulfanyl N-(4-phenoxybutyl)carbamodithioate Traditional Name: N-(4-phenoxybutyl)carbamodithioic acid (4-phenoxybutylthiocarbamoylthio) ester Formula: C22H28N2O2S4 MolecularWeight: 480.72992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCNC(=S)SSC(=S)NCCCCOC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)OCCCCNC(=S)SSC(=S)NCCCCOC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O2S4/c27-21(23-15-7-9-17-25-19-11-3-1-4-12-19)29-30-22(28)24-16-8-10-18-26-20-13-5-2-6-14-20/h1-6,11-14H,7-10,15-18H2,(H,23,27)(H,24,28)