N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitro-benzamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitro-benzamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitro-benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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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)OCC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-3-5-6-13-7-9-15-18(11-13)28-20(21-15)22-19(24)14-8-10-17(27-4-2)16(12-14)23(25)26/h7-12H,3-6H2,1-2H3,(H,21,22,24)