N-[4-bromanyl-2-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-bromanyl-2-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-bromo-2-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-bromo-2-[oxo-[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-bromo-2-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-bromo-2-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C22H20BrN3O6S MolecularWeight: 534.3797

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C2=C(C=CC(=C2)Br)NC(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C2=C(C=CC(=C2)Br)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H20BrN3O6S/c1-30-16-9-12(10-17(31-2)19(16)32-3)20(27)25-26-21(28)14-11-13(23)6-7-15(14)24-22(29)18-5-4-8-33-18/h4-11H,1-3H3,(H,24,29)(H,25,27)(H,26,28)