N-[(6-fluoranyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(6-fluoranyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(6-fluoro-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C19H16FN5O4S2 MolecularWeight: 461.489843

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C19H16FN5O4S2/c20-11-1-3-14-16(9-11)31-19(21-14)23-18(30)22-17(26)13-10-12(25(27)28)2-4-15(13)24-5-7-29-8-6-24/h1-4,9-10H,5-8H2,(H2,21,22,23,26,30)