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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenyl-butanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenyl-butanamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenylbutanamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenylbutanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenyl-butyramide Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c21-16(8-4-7-12-5-2-1-3-6-12)19-17-18-14-10-9-13(20(22)23)11-15(14)24-17/h1-3,5-6,9-11H,4,7-8H2,(H,18,19,21)