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

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-morpholino-N-(2-morpholinoethyl)-3-nitro-benzamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-(4-morpholinyl)-N-[2-(4-morpholinyl)ethyl]-3-nitrobenzamide IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-morpholino-N-(2-morpholinoethyl)-3-nitro-benzamide Formula: C25H29N5O5S2 MolecularWeight: 543.65826

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O5S2/c1-36-19-3-4-20-23(17-19)37-25(26-20)29(7-6-27-8-12-34-13-9-27)24(31)18-2-5-21(22(16-18)30(32)33)28-10-14-35-15-11-28/h2-5,16-17H,6-15H2,1H3