2-[2,6-bis(oxidanylidene)-4-phenyl-1,3-diazinan-1-yl]ethyl pyrrolidine-1-carbodithioate

Systemtic Name: 2-[2,6-bis(oxidanylidene)-4-phenyl-1,3-diazinan-1-yl]ethyl pyrrolidine-1-carbodithioate Openeye Name: 2-(2,6-dioxo-4-phenyl-hexahydropyrimidin-1-yl)ethyl pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)ethyl ester IUPAC Name: 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)ethyl pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid 2-(2,6-diketo-4-phenyl-hexahydropyrimidin-1-yl)ethyl ester Formula: C17H21N3O2S2 MolecularWeight: 363.49754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCCN2C(=O)CC(NC2=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=S)SCCN2C(=O)CC(NC2=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O2S2/c21-15-12-14(13-6-2-1-3-7-13)18-16(22)20(15)10-11-24-17(23)19-8-4-5-9-19/h1-3,6-7,14H,4-5,8-12H2,(H,18,22)