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

Systemtic Name: 3-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]-4-piperidin-1-yl-benzamide Openeye Name: 3-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-[[(2-phenyl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]-4-(1-piperidinyl)benzamide IUPAC Name: 3-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]-4-piperidin-1-ylbenzamide Traditional Name: 3-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]-4-piperidino-benzamide Formula: C26H23N5O4S MolecularWeight: 501.55692

Click to see the large picture

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=CC=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=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O4S/c32-24(18-9-11-21(22(15-18)31(33)34)30-13-5-2-6-14-30)29-26(36)27-19-10-12-23-20(16-19)28-25(35-23)17-7-3-1-4-8-17/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H2,27,29,32,36)