[(2S)-1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] N,N-diethylcarbamodithioate

Systemtic Name: [(2S)-1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] N,N-diethylcarbamodithioate Openeye Name: [(1S)-2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [(2S)-1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [(1S)-2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H26N2O2S2 MolecularWeight: 366.54124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)SC(=S)N(CC)CC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)[C@H](C)SC(=S)N(CC)CC

InChI

InChI=1S/C18H26N2O2S2/c1-5-8-16(21)19-15-11-9-14(10-12-15)17(22)13(4)24-18(23)20(6-2)7-3/h9-13H,5-8H2,1-4H3,(H,19,21)/t13-/m0/s1