[4-(butylcarbamoylamino)phenyl] thiocyanate

Systemtic Name: [4-(butylcarbamoylamino)phenyl] thiocyanate Openeye Name: [4-(butylcarbamoylamino)phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[butylamino(oxo)methyl]amino]phenyl] ester IUPAC Name: [4-(butylcarbamoylamino)phenyl] thiocyanate Traditional Name: thiocyanic acid [4-(butylcarbamoylamino)phenyl] ester Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC=C(C=C1)SC#N

Isomeric SMILES

CCCCNC(=O)NC1=CC=C(C=C1)SC#N

InChI

InChI=1S/C12H15N3OS/c1-2-3-8-14-12(16)15-10-4-6-11(7-5-10)17-9-13/h4-7H,2-3,8H2,1H3,(H2,14,15,16)