1-[4-(2-azanylethoxy)-3-methoxy-phenyl]decan-2-ylcarbamothioic S-acid

Systemtic Name: 1-[4-(2-azanylethoxy)-3-methoxy-phenyl]decan-2-ylcarbamothioic S-acid Openeye Name: 1-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methyl]nonylcarbamothioic S-acid CAS Name: 1-[4-(2-aminoethoxy)-3-methoxyphenyl]decan-2-ylcarbamothioic S-acid IUPAC Name: 1-[4-(2-aminoethoxy)-3-methoxyphenyl]decan-2-ylcarbamothioic S-acid Traditional Name: 1-[4-(2-aminoethoxy)-3-methoxy-benzyl]nonylthiocarbamic S-acid Formula: C20H34N2O3S MolecularWeight: 382.56056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O3S/c1-3-4-5-6-7-8-9-17(22-20(23)26)14-16-10-11-18(25-13-12-21)19(15-16)24-2/h10-11,15,17H,3-9,12-14,21H2,1-2H3,(H2,22,23,26)