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

Systemtic Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-benzamide Openeye Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-benzamide CAS Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide IUPAC Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide Traditional Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-benzamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c1-3-4-9-26-14-6-7-15-17(11-14)27-19(20-15)21-18(23)13-5-8-16(22(24)25)12(2)10-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21,23)