[4-(butylcarbamoylamino)-3,5-dimethyl-phenyl] thiocyanate

Systemtic Name: [4-(butylcarbamoylamino)-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-(butylcarbamoylamino)-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[butylamino(oxo)methyl]amino]-3,5-dimethylphenyl] ester IUPAC Name: [4-(butylcarbamoylamino)-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-(butylcarbamoylamino)-3,5-dimethyl-phenyl] ester Formula: C14H19N3OS MolecularWeight: 277.38516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C(C=C(C=C1C)SC#N)C

Isomeric SMILES

CCCCNC(=O)NC1=C(C=C(C=C1C)SC#N)C

InChI

InChI=1S/C14H19N3OS/c1-4-5-6-16-14(18)17-13-10(2)7-12(19-9-15)8-11(13)3/h7-8H,4-6H2,1-3H3,(H2,16,17,18)