[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-keto-ethyl] ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)N(CCC#N)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)N(CCC#N)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C18H23N3O3S2/c1-3-20(4-2)18(25)26-13-17(22)21(9-5-8-19)14-6-7-15-16(12-14)24-11-10-23-15/h6-7,12H,3-5,9-11,13H2,1-2H3