N-[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide

Systemtic Name: N-[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide Openeye Name: N-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-methyl-1-piperidyl)-5-nitro-benzamide CAS Name: N-[[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-(4-methyl-1-piperidinyl)-5-nitrobenzamide IUPAC Name: N-[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide Traditional Name: N-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C28H26BrN5O5S MolecularWeight: 624.50554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=C(C=C5)OC)Br

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=C(C=C5)OC)Br

InChI

InChI=1S/C28H26BrN5O5S/c1-16-9-11-33(12-10-16)23-6-5-19(34(36)37)15-20(23)26(35)32-28(40)30-18-4-8-25-22(14-18)31-27(39-25)17-3-7-24(38-2)21(29)13-17/h3-8,13-16H,9-12H2,1-2H3,(H2,30,32,35,40)