4-[3-[(4-bromophenyl)carbamothioylamino]-4-(methylamino)phenoxy]-N-methyl-pyridine-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)OC2=CC(=NC=C2)C(=O)NC)NC(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

CNC1=C(C=C(C=C1)OC2=CC(=NC=C2)C(=O)NC)NC(=S)NC3=CC=C(C=C3)Br

InChI

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