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

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 4-morpholino-3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 4-morpholino-3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C19H16N6O6S2 MolecularWeight: 488.49694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N6O6S2/c26-17(11-1-4-14(15(9-11)25(29)30)23-5-7-31-8-6-23)21-18(32)22-19-20-13-3-2-12(24(27)28)10-16(13)33-19/h1-4,9-10H,5-8H2,(H2,20,21,22,26,32)