O-[[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl]] N-ethyl-N-methyl-carbamothioate chloride

Systemtic Name: O-[[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl]] N-ethyl-N-methyl-carbamothioate chloride Openeye Name: O-[3-(prop-2-ynylamino)indan-5-yl] N-ethyl-N-methyl-carbamothioate chloride CAS Name: N-ethyl-N-methylcarbamothioic acid O-[[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl]] ester chloride IUPAC Name: O-[[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl]] N-ethyl-N-methylcarbamothioate chloride Traditional Name: N-ethyl-N-methyl-thiocarbamic acid O-[3-(propargylamino)indan-5-yl] ester chloride Formula: C16H20ClN2OS- MolecularWeight: 323.8608

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=S)OC1=CC2=C(CCC2NCC#C)C=C1.[Cl-]

Isomeric SMILES

CCN(C)C(=S)OC1=CC2=C(CCC2NCC#C)C=C1.[Cl-]

InChI

InChI=1S/C16H20N2OS.ClH/c1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)19-16(20)18(3)5-2;/h1,6,8,11,15,17H,5,7,9-10H2,2-3H3;1H/p-1