N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide Formula: C18H14F2N4O4S MolecularWeight: 420.389966

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NC4=C(C=C(C=C4S3)F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NC4=C(C=C(C=C4S3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H14F2N4O4S/c19-11-8-12(20)16-15(9-11)29-18(21-16)22-17(25)10-1-2-13(14(7-10)24(26)27)23-3-5-28-6-4-23/h1-2,7-9H,3-6H2,(H,21,22,25)