N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenoxy-butanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenoxy-butanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenoxy-butanamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybutanamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybutanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenoxy-butyramide Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c21-16(7-4-10-24-13-5-2-1-3-6-13)19-17-18-14-9-8-12(20(22)23)11-15(14)25-17/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19,21)