[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methylcarbamothioic S-acid

Systemtic Name: [4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methylcarbamothioic S-acid Openeye Name: [4-[6-[allyl(methyl)amino]hexoxy]phenyl]methylcarbamothioic S-acid CAS Name: [4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methylcarbamothioic S-acid IUPAC Name: [4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methylcarbamothioic S-acid Traditional Name: [4-[6-[allyl(methyl)amino]hexoxy]benzyl]thiocarbamic S-acid Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCOC1=CC=C(C=C1)CNC(=O)S)CC=C

Isomeric SMILES

CN(CCCCCCOC1=CC=C(C=C1)CNC(=O)S)CC=C

InChI

InChI=1S/C18H28N2O2S/c1-3-12-20(2)13-6-4-5-7-14-22-17-10-8-16(9-11-17)15-19-18(21)23/h3,8-11H,1,4-7,12-15H2,2H3,(H2,19,21,23)