N-[4-[(4-piperidin-1-ylphenyl)methylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[(4-piperidin-1-ylphenyl)methylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[[4-(1-piperidyl)phenyl]methylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[[4-(1-piperidinyl)phenyl]methylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[(4-piperidin-1-ylphenyl)methylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[(4-piperidinobenzyl)thiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C22H24N6OS2 MolecularWeight: 452.59556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)CNC(=S)NC3=CC=C(C=C3)NC(=O)C4=CSN=N4

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)CNC(=S)NC3=CC=C(C=C3)NC(=O)C4=CSN=N4

InChI

InChI=1S/C22H24N6OS2/c29-21(20-15-31-27-26-20)24-17-6-8-18(9-7-17)25-22(30)23-14-16-4-10-19(11-5-16)28-12-2-1-3-13-28/h4-11,15H,1-3,12-14H2,(H,24,29)(H2,23,25,30)