(2-aminocarbonyl-4,6-dinitro-phenyl) azepane-1-carbodithioate

Systemtic Name: (2-aminocarbonyl-4,6-dinitro-phenyl) azepane-1-carbodithioate Openeye Name: (2-carbamoyl-4,6-dinitro-phenyl) azepane-1-carbodithioate CAS Name: 1-azepanecarbodithioic acid (2-carbamoyl-4,6-dinitrophenyl) ester IUPAC Name: (2-carbamoyl-4,6-dinitrophenyl) azepane-1-carbodithioate Traditional Name: azepane-1-carbodithioic acid (2-carbamoyl-4,6-dinitro-phenyl) ester Formula: C14H16N4O5S2 MolecularWeight: 384.43064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)SC2=C(C=C(C=C2C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=S)SC2=C(C=C(C=C2C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O5S2/c15-13(19)10-7-9(17(20)21)8-11(18(22)23)12(10)25-14(24)16-5-3-1-2-4-6-16/h7-8H,1-6H2,(H2,15,19)