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

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitro-benzamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitro-benzamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitrobenzamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitro-benzamide Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c1-3-4-5-12-6-7-14-17(8-12)29-19(20-14)21-18(24)13-9-15(22(25)26)11(2)16(10-13)23(27)28/h6-10H,3-5H2,1-2H3,(H,20,21,24)