[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl-[(E)-octadec-9-enyl]carbamothioic S-acid

Systemtic Name: [4-(2-azanylethoxy)-3-methoxy-phenyl]methyl-[(E)-octadec-9-enyl]carbamothioic S-acid Openeye Name: [4-(2-aminoethoxy)-3-methoxy-phenyl]methyl-[(E)-octadec-9-enyl]carbamothioic S-acid CAS Name: [4-(2-aminoethoxy)-3-methoxyphenyl]methyl-[(E)-octadec-9-enyl]carbamothioic S-acid IUPAC Name: [4-(2-aminoethoxy)-3-methoxyphenyl]methyl-[(E)-octadec-9-enyl]carbamothioic S-acid Traditional Name: [4-(2-aminoethoxy)-3-methoxy-benzyl]-[(E)-octadec-9-enyl]thiocarbamic S-acid Formula: C29H50N2O3S MolecularWeight: 506.7839

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(CC1=CC(=C(C=C1)OCCN)OC)C(=O)S

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(CC1=CC(=C(C=C1)OCCN)OC)C(=O)S

InChI

InChI=1S/C29H50N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31(29(32)35)25-26-19-20-27(34-23-21-30)28(24-26)33-2/h10-11,19-20,24H,3-9,12-18,21-23,25,30H2,1-2H3,(H,32,35)/b11-10+