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

Systemtic Name: N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide Openeye Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-methyl-1-piperidyl)-5-nitro-benzamide CAS Name: N-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-(4-methyl-1-piperidinyl)-5-nitrobenzamide IUPAC Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide Traditional Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C27H24IN5O4S MolecularWeight: 641.48003

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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(=CC=C5)I

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(=CC=C5)I

InChI

InChI=1S/C27H24IN5O4S/c1-16-9-11-32(12-10-16)23-7-6-20(33(35)36)15-21(23)25(34)31-27(38)29-19-5-8-24-22(14-19)30-26(37-24)17-3-2-4-18(28)13-17/h2-8,13-16H,9-12H2,1H3,(H2,29,31,34,38)