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

Systemtic Name: N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(6-ethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C21H21N5O5S2 MolecularWeight: 487.55194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C21H21N5O5S2/c1-2-31-14-4-5-16-18(12-14)33-21(22-16)24-20(32)23-19(27)15-11-13(26(28)29)3-6-17(15)25-7-9-30-10-8-25/h3-6,11-12H,2,7-10H2,1H3,(H2,22,23,24,27,32)