[4-(1-benzoxepin-4-ylcarbonylamino)phenyl] thiocyanate

Systemtic Name: [4-(1-benzoxepin-4-ylcarbonylamino)phenyl] thiocyanate Openeye Name: [4-(1-benzoxepine-4-carbonylamino)phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[1-benzoxepin-4-yl(oxo)methyl]amino]phenyl] ester IUPAC Name: [4-(1-benzoxepine-4-carbonylamino)phenyl] thiocyanate Traditional Name: thiocyanic acid [4-(1-benzoxepin-4-carbonylamino)phenyl] ester Formula: C18H12N2O2S MolecularWeight: 320.36508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=CO2)C(=O)NC3=CC=C(C=C3)SC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=CO2)C(=O)NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C18H12N2O2S/c19-12-23-16-7-5-15(6-8-16)20-18(21)14-9-10-22-17-4-2-1-3-13(17)11-14/h1-11H,(H,20,21)