N-[3-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3-keto-propyl]-4-nitro-benzamide Formula: C17H13FN4O4S MolecularWeight: 388.372923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC(=O)NC2=NC3=C(S2)C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)NC2=NC3=C(S2)C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13FN4O4S/c18-11-3-6-13-14(9-11)27-17(20-13)21-15(23)7-8-19-16(24)10-1-4-12(5-2-10)22(25)26/h1-6,9H,7-8H2,(H,19,24)(H,20,21,23)