[1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] pyrrolidine-1-carbodithioate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] pyrrolidine-1-carbodithioate Openeye Name: [2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21N3O2S2 MolecularWeight: 351.48684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC(=S)N2CCCC2

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC(=S)N2CCCC2

InChI

InChI=1S/C16H21N3O2S2/c1-12(23-16(22)19-9-5-6-10-19)14(20)18-15(21)17-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H2,17,18,20,21)