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

Systemtic Name: 3-nitro-4-piperidin-1-yl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-nitro-4-(1-piperidyl)-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3-nitro-4-(1-piperidinyl)-N-[[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-4-piperidin-1-yl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-nitro-4-piperidino-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C25H22N6O4S MolecularWeight: 502.54498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=NC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=NC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N6O4S/c32-23(17-4-6-20(21(14-17)31(33)34)30-12-2-1-3-13-30)29-25(36)27-18-5-7-22-19(15-18)28-24(35-22)16-8-10-26-11-9-16/h4-11,14-15H,1-3,12-13H2,(H2,27,29,32,36)