[4-[(2-bromanyl-3,4,5-trimethoxy-phenyl)carbonylamino]-3-chloranyl-phenyl] thiocyanate

Systemtic Name: [4-[(2-bromanyl-3,4,5-trimethoxy-phenyl)carbonylamino]-3-chloranyl-phenyl] thiocyanate Openeye Name: [4-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]-3-chloro-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[(2-bromo-3,4,5-trimethoxyphenyl)-oxomethyl]amino]-3-chlorophenyl] ester IUPAC Name: [4-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-3-chlorophenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]-3-chloro-phenyl] ester Formula: C17H14BrClN2O4S MolecularWeight: 457.72606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC2=C(C=C(C=C2)SC#N)Cl)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC2=C(C=C(C=C2)SC#N)Cl)Br)OC)OC

InChI

InChI=1S/C17H14BrClN2O4S/c1-23-13-7-10(14(18)16(25-3)15(13)24-2)17(22)21-12-5-4-9(26-8-20)6-11(12)19/h4-7H,1-3H3,(H,21,22)