1-[[(E)-1-[5-(4-bromophenyl)-4-oxidanyl-thiophen-3-yl]ethylideneamino]carbamothioyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[[(E)-1-[5-(4-bromophenyl)-4-oxidanyl-thiophen-3-yl]ethylideneamino]carbamothioyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[[(E)-1-[5-(4-bromophenyl)-4-hydroxy-3-thienyl]ethylideneamino]carbamothioyl]-N-(4-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[[(2E)-2-[1-[5-(4-bromophenyl)-4-hydroxy-3-thiophenyl]ethylidene]hydrazinyl]-sulfanylidenemethyl]-N-(pyridin-4-ylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[[(E)-1-[5-(4-bromophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]carbamothioyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[[(E)-1-[5-(4-bromophenyl)-4-hydroxy-3-thienyl]ethylideneamino]thiocarbamoyl]-N-(4-pyridylmethyl)isonipecotamide Formula: C25H26BrN5O2S2 MolecularWeight: 572.54024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCC(CC1)C(=O)NCC2=CC=NC=C2)C3=CSC(=C3O)C4=CC=C(C=C4)Br

Isomeric SMILES

C/C(=N\NC(=S)N1CCC(CC1)C(=O)NCC2=CC=NC=C2)/C3=CSC(=C3O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H26BrN5O2S2/c1-16(21-15-35-23(22(21)32)18-2-4-20(26)5-3-18)29-30-25(34)31-12-8-19(9-13-31)24(33)28-14-17-6-10-27-11-7-17/h2-7,10-11,15,19,32H,8-9,12-14H2,1H3,(H,28,33)(H,30,34)/b29-16+