5-bromanyl-2-butoxy-N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)NC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)NC

InChI

InChI=1S/C21H24BrN3O3S/c1-3-4-11-28-18-10-7-15(22)13-17(18)20(27)25-21(29)24-16-8-5-14(6-9-16)12-19(26)23-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,26)(H2,24,25,27,29)