1-methyl-1-phenyl-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea

Systemtic Name: 1-methyl-1-phenyl-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea Openeye Name: 1-methyl-1-phenyl-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea CAS Name: 1-methyl-1-phenyl-3-[[[(2E)-2-[1-(2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-methyl-1-phenyl-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea Traditional Name: 1-methyl-1-phenyl-3-[[(E)-1-(2-pyridyl)ethylideneamino]thiocarbamoylamino]thiourea Formula: C16H18N6S2 MolecularWeight: 358.48432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NNC(=S)N(C)C1=CC=CC=C1)C2=CC=CC=N2

Isomeric SMILES

C/C(=N\NC(=S)NNC(=S)N(C)C1=CC=CC=C1)/C2=CC=CC=N2

InChI

InChI=1S/C16H18N6S2/c1-12(14-10-6-7-11-17-14)18-19-15(23)20-21-16(24)22(2)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,21,24)(H2,19,20,23)/b18-12+