2-(4-cyclohexylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(4-cyclohexylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-cyclohexylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(4-cyclohexylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-cyclohexylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(4-cyclohexylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c25-20(23-21-22-18-11-8-16(24(26)27)12-19(18)29-21)13-28-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h6-12,14H,1-5,13H2,(H,22,23,25)