N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(4-methylpiperidin-1-yl)carbonyl-benzamide

Systemtic Name: N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(4-methylpiperidin-1-yl)carbonyl-benzamide Openeye Name: N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(4-methylpiperidine-1-carbonyl)benzamide CAS Name: N-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]-2-[(4-methyl-1-piperidinyl)-oxomethyl]benzamide IUPAC Name: N-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(4-methylpiperidine-1-carbonyl)benzamide Traditional Name: N-[2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]-2-(4-methylpiperidine-1-carbonyl)benzamide Formula: C29H28N4O5S2 MolecularWeight: 576.68642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=C(C=CC(=C5)[N+](=O)[O-])OC

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=C(C=CC(=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C29H28N4O5S2/c1-18-11-13-32(14-12-18)28(35)23-6-4-3-5-22(23)27(34)30-20-7-9-24-26(16-20)40-29(31-24)39-17-19-15-21(33(36)37)8-10-25(19)38-2/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,30,34)