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

Systemtic Name: N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-nitro-4-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)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=C(C=C5)I)[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=C(C=C5)I)[N+](=O)[O-]

InChI

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