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

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-nitro-benzamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]-3-nitrobenzamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide Traditional Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)-3-nitro-benzamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S2/c1-30-17-6-3-7-18-19(17)22-21(31-18)24(9-8-23-10-12-29-13-11-23)20(26)15-4-2-5-16(14-15)25(27)28/h2-7,14H,8-13H2,1H3