[3-imidazol-1-yl-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] N,N-diethylcarbamodithioate

Systemtic Name: [3-imidazol-1-yl-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] N,N-diethylcarbamodithioate Openeye Name: [1-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [3-(1-imidazolyl)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [3-imidazol-1-yl-1-(4-methoxyphenyl)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [1-(imidazol-1-ylmethyl)-2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C18H23N3O2S2 MolecularWeight: 377.52412

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC(CN1C=CN=C1)C(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCN(CC)C(=S)SC(CN1C=CN=C1)C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H23N3O2S2/c1-4-21(5-2)18(24)25-16(12-20-11-10-19-13-20)17(22)14-6-8-15(23-3)9-7-14/h6-11,13,16H,4-5,12H2,1-3H3