3-bromanyl-4-(2-methoxyethoxy)-N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(2-methoxyethoxy)-N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-(2-methoxyethoxy)-N-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methoxyethoxy)-N-[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methoxyethoxy)-N-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCOC)Br

Isomeric SMILES

CNC(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCOC)Br

InChI

InChI=1S/C20H22BrN3O4S/c1-22-18(25)11-13-3-6-15(7-4-13)23-20(29)24-19(26)14-5-8-17(16(21)12-14)28-10-9-27-2/h3-8,12H,9-11H2,1-2H3,(H,22,25)(H2,23,24,26,29)