N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-nitro-benzamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-nitrobenzamide Traditional Name: 2-(4-benzylpiperidino)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-nitro-benzamide Formula: C27H26N4O3S2 MolecularWeight: 518.65034

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3S2/c1-35-27-29-23-9-7-20(16-25(23)36-27)28-26(32)22-17-21(31(33)34)8-10-24(22)30-13-11-19(12-14-30)15-18-5-3-2-4-6-18/h2-10,16-17,19H,11-15H2,1H3,(H,28,32)