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

Systemtic Name: N-[[2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C27H23BrClN5O4S MolecularWeight: 628.92462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23BrClN5O4S/c1-15-8-10-33(11-9-15)22-6-2-16(12-23(22)34(36)37)25(35)32-27(39)30-18-4-7-24-21(14-18)31-26(38-24)19-13-17(28)3-5-20(19)29/h2-7,12-15H,8-11H2,1H3,(H2,30,32,35,39)