N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide

Systemtic Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Openeye Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide CAS Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide IUPAC Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide Traditional Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])N2CC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])N2CC

InChI

InChI=1S/C18H16N4O5S/c1-3-11-6-5-7-15-16(11)20(4-2)18(28-15)19-17(23)12-8-13(21(24)25)10-14(9-12)22(26)27/h5-10H,3-4H2,1-2H3