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

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C25H21N5O4S2 MolecularWeight: 519.59534

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H21N5O4S2/c31-23(19-15-18(30(32)33)8-9-21(19)29-10-12-34-13-11-29)28-25(35)26-17-5-3-4-16(14-17)24-27-20-6-1-2-7-22(20)36-24/h1-9,14-15H,10-13H2,(H2,26,28,31,35)