[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[[(3,4-diethoxyanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)CSC(=S)N2CCCC2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)CSC(=S)N2CCCC2)OCC

InChI

InChI=1S/C18H25N3O4S2/c1-3-24-14-8-7-13(11-15(14)25-4-2)19-17(23)20-16(22)12-27-18(26)21-9-5-6-10-21/h7-8,11H,3-6,9-10,12H2,1-2H3,(H2,19,20,22,23)