[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C16H22N2O3S2 MolecularWeight: 354.48748

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C16H22N2O3S2/c1-3-18(4-2)16(22)23-11-15(19)17-12-6-7-13-14(10-12)21-9-5-8-20-13/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,19)