[3-ethyl-5-methyl-4-(phenylcarbamoylamino)phenyl] thiocyanate

Systemtic Name: [3-ethyl-5-methyl-4-(phenylcarbamoylamino)phenyl] thiocyanate Openeye Name: [3-ethyl-5-methyl-4-(phenylcarbamoylamino)phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[anilino(oxo)methyl]amino]-3-ethyl-5-methylphenyl] ester IUPAC Name: [3-ethyl-5-methyl-4-(phenylcarbamoylamino)phenyl] thiocyanate Traditional Name: thiocyanic acid [3-ethyl-5-methyl-4-(phenylcarbamoylamino)phenyl] ester Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)SC#N)C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=CC(=C1)SC#N)C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C17H17N3OS/c1-3-13-10-15(22-11-18)9-12(2)16(13)20-17(21)19-14-7-5-4-6-8-14/h4-10H,3H2,1-2H3,(H2,19,20,21)