N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenoxy-butanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenoxy-butanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenoxy-butanamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenoxybutanamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenoxybutanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenoxy-butyramide Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O4S/c1-2-14(24-12-6-4-3-5-7-12)16(21)19-17-18-13-9-8-11(20(22)23)10-15(13)25-17/h3-10,14H,2H2,1H3,(H,18,19,21)