[4-(methylcarbamoylamino)-3-[2-(methylcarbamoylamino)-5-thiocyanato-phenyl]phenyl] thiocyanate

Systemtic Name: [4-(methylcarbamoylamino)-3-[2-(methylcarbamoylamino)-5-thiocyanato-phenyl]phenyl] thiocyanate Openeye Name: [4-(methylcarbamoylamino)-3-[2-(methylcarbamoylamino)-5-thiocyanato-phenyl]phenyl] thiocyanate CAS Name: thiocyanic acid [4-(methylcarbamoylamino)-3-[2-(methylcarbamoylamino)-5-thiocyanatophenyl]phenyl] ester IUPAC Name: [4-(methylcarbamoylamino)-3-[2-(methylcarbamoylamino)-5-thiocyanatophenyl]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-(methylcarbamoylamino)-3-[2-(methylcarbamoylamino)-5-thiocyanato-phenyl]phenyl] ester Formula: C18H16N6O2S2 MolecularWeight: 412.48864

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=C(C=C(C=C1)SC#N)C2=C(C=CC(=C2)SC#N)NC(=O)NC

Isomeric SMILES

CNC(=O)NC1=C(C=C(C=C1)SC#N)C2=C(C=CC(=C2)SC#N)NC(=O)NC

InChI

InChI=1S/C18H16N6O2S2/c1-21-17(25)23-15-5-3-11(27-9-19)7-13(15)14-8-12(28-10-20)4-6-16(14)24-18(26)22-2/h3-8H,1-2H3,(H2,21,23,25)(H2,22,24,26)