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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c1-11(12-5-3-2-4-6-12)9-16(21)19-17-18-14-8-7-13(20(22)23)10-15(14)24-17/h2-8,10-11H,9H2,1H3,(H,18,19,21)