3-(4-butoxy-3-ethoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(4-butoxy-3-ethoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(4-butoxy-3-ethoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(4-butoxy-3-ethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4-butoxy-3-ethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(4-butoxy-3-ethoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C22H25N3O5S/c1-3-5-12-30-18-10-6-15(13-19(18)29-4-2)7-11-21(26)24-22-23-17-9-8-16(25(27)28)14-20(17)31-22/h6,8-10,13-14H,3-5,7,11-12H2,1-2H3,(H,23,24,26)