4-[3-azanyl-4-[(4-bromophenyl)carbamothioyl-methyl-amino]phenoxy]-N-methyl-pyridine-2-carboxamide

Systemtic Name: 4-[3-azanyl-4-[(4-bromophenyl)carbamothioyl-methyl-amino]phenoxy]-N-methyl-pyridine-2-carboxamide Openeye Name: 4-[3-amino-4-[(4-bromophenyl)carbamothioyl-methyl-amino]phenoxy]-N-methyl-pyridine-2-carboxamide CAS Name: 4-[3-amino-4-[[(4-bromoanilino)-sulfanylidenemethyl]-methylamino]phenoxy]-N-methyl-2-pyridinecarboxamide IUPAC Name: 4-[3-amino-4-[(4-bromophenyl)carbamothioyl-methylamino]phenoxy]-N-methylpyridine-2-carboxamide Traditional Name: 4-[3-amino-4-[(4-bromophenyl)thiocarbamoyl-methyl-amino]phenoxy]-N-methyl-picolinamide Formula: C21H20BrN5O2S MolecularWeight: 486.3848

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)N(C)C(=S)NC3=CC=C(C=C3)Br)N

Isomeric SMILES

CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)N(C)C(=S)NC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C21H20BrN5O2S/c1-24-20(28)18-12-16(9-10-25-18)29-15-7-8-19(17(23)11-15)27(2)21(30)26-14-5-3-13(22)4-6-14/h3-12H,23H2,1-2H3,(H,24,28)(H,26,30)