N-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl]-N-octyl-carbamothioate

Systemtic Name: N-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl]-N-octyl-carbamothioate Openeye Name: N-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methyl]-N-octyl-carbamothioate CAS Name: N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-N-octylcarbamothioate IUPAC Name: N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-N-octylcarbamothioate Traditional Name: N-[4-(2-aminoethoxy)-3-methoxy-benzyl]-N-octyl-thiocarbamate Formula: C19H31N2O3S- MolecularWeight: 367.52604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CC1=CC(=C(C=C1)OCCN)OC)C(=S)[O-]

Isomeric SMILES

CCCCCCCCN(CC1=CC(=C(C=C1)OCCN)OC)C(=S)[O-]

InChI

InChI=1S/C19H32N2O3S/c1-3-4-5-6-7-8-12-21(19(22)25)15-16-9-10-17(24-13-11-20)18(14-16)23-2/h9-10,14H,3-8,11-13,15,20H2,1-2H3,(H,22,25)/p-1