N-(6-butoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitro-benzamide Openeye Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitro-benzamide CAS Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitrobenzamide Traditional Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitro-benzamide Formula: C19H18N4O6S MolecularWeight: 430.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6S/c1-3-4-7-29-13-5-6-14-17(10-13)30-19(20-14)21-18(24)12-8-15(22(25)26)11(2)16(9-12)23(27)28/h5-6,8-10H,3-4,7H2,1-2H3,(H,20,21,24)