methyl N-[ethoxy(propylsulfanyl)phosphoryl]-N-hexyl-N'-(4-methylsulfanylphenyl)carbamimidothioate

Systemtic Name: methyl N-[ethoxy(propylsulfanyl)phosphoryl]-N-hexyl-N'-(4-methylsulfanylphenyl)carbamimidothioate Openeye Name: 1-[ethoxy(propylsulfanyl)phosphoryl]-1-hexyl-2-methyl-3-(4-methylsulfanylphenyl)isothiourea CAS Name: N-[ethoxy-(propylthio)phosphoryl]-N-hexyl-N'-[4-(methylthio)phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-[ethoxy(propylsulfanyl)phosphoryl]-N-hexyl-N'-(4-methylsulfanylphenyl)carbamimidothioate Traditional Name: 1-[ethoxy-(propylthio)phosphoryl]-1-hexyl-2-methyl-3-[4-(methylthio)phenyl]isothiourea Formula: C20H35N2O2PS3 MolecularWeight: 462.672861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(=NC1=CC=C(C=C1)SC)SC)P(=O)(OCC)SCCC

Isomeric SMILES

CCCCCCN(C(=NC1=CC=C(C=C1)SC)SC)P(=O)(OCC)SCCC

InChI

InChI=1S/C20H35N2O2PS3/c1-6-9-10-11-16-22(25(23,24-8-3)28-17-7-2)20(27-5)21-18-12-14-19(26-4)15-13-18/h12-15H,6-11,16-17H2,1-5H3