N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitro-benzamide

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitro-benzamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3,5-dinitro-benzamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]-3,5-dinitrobenzamide IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitrobenzamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)-3,5-dinitro-benzamide Formula: C21H21N5O6S2 MolecularWeight: 503.55134

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6S2/c1-33-17-2-3-18-19(13-17)34-21(22-18)24(5-4-23-6-8-32-9-7-23)20(27)14-10-15(25(28)29)12-16(11-14)26(30)31/h2-3,10-13H,4-9H2,1H3