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

Systemtic Name: 4-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-nitro-benzamide Formula: C20H19N5O5S2 MolecularWeight: 473.52536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5S2/c1-29-16-5-2-12(10-15(16)25(27)28)18(26)22-19(31)23-20-21-14-4-3-13(11-17(14)32-20)24-6-8-30-9-7-24/h2-5,10-11H,6-9H2,1H3,(H2,21,22,23,26,31)