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

Systemtic Name: N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-5-nitro-2-piperidino-benzamide Formula: C26H22IN5O4S MolecularWeight: 627.45345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(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

C1CCN(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/C26H22IN5O4S/c27-17-6-4-5-16(13-17)25-29-21-14-18(7-10-23(21)36-25)28-26(37)30-24(33)20-15-19(32(34)35)8-9-22(20)31-11-2-1-3-12-31/h4-10,13-15H,1-3,11-12H2,(H2,28,30,33,37)