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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c1-2-13(11-6-4-3-5-7-11)16(21)19-17-18-14-9-8-12(20(22)23)10-15(14)24-17/h3-10,13H,2H2,1H3,(H,18,19,21)