[4-[(7-bromanyl-1-benzoxepin-4-yl)carbonylamino]phenyl] thiocyanate

Systemtic Name: [4-[(7-bromanyl-1-benzoxepin-4-yl)carbonylamino]phenyl] thiocyanate Openeye Name: [4-[(7-bromo-1-benzoxepine-4-carbonyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[(7-bromo-1-benzoxepin-4-yl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(7-bromo-1-benzoxepine-4-carbonyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(7-bromo-1-benzoxepin-4-carbonyl)amino]phenyl] ester Formula: C18H11BrN2O2S MolecularWeight: 399.26114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC3=C(C=CC(=C3)Br)OC=C2)SC#N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC3=C(C=CC(=C3)Br)OC=C2)SC#N

InChI

InChI=1S/C18H11BrN2O2S/c19-14-1-6-17-13(10-14)9-12(7-8-23-17)18(22)21-15-2-4-16(5-3-15)24-11-20/h1-10H,(H,21,22)