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

Systemtic Name: N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Openeye Name: N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide CAS Name: N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide IUPAC Name: N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide Traditional Name: N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Formula: C18H16N4O6S MolecularWeight: 416.40784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O6S/c1-3-6-20-15-10-14(28-2)4-5-16(15)29-18(20)19-17(23)11-7-12(21(24)25)9-13(8-11)22(26)27/h4-5,7-10H,3,6H2,1-2H3