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

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)-3-nitro-4-piperidino-benzamide Formula: C26H31N5O4S2 MolecularWeight: 541.68544

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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)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H31N5O4S2/c1-36-20-6-7-21-24(18-20)37-26(27-21)30(12-11-28-13-15-35-16-14-28)25(32)19-5-8-22(23(17-19)31(33)34)29-9-3-2-4-10-29/h5-8,17-18H,2-4,9-16H2,1H3