N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide

Systemtic Name: N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Openeye Name: N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide CAS Name: N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide IUPAC Name: N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide Traditional Name: N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)CC)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)CC)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c1-3-7-21-16-6-5-12(4-2)8-17(16)29-19(21)20-18(24)13-9-14(22(25)26)11-15(10-13)23(27)28/h5-6,8-11H,3-4,7H2,1-2H3