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

Systemtic Name: 5-bromanyl-2-methoxy-N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O3S/c1-20-16(23)9-11-3-6-13(7-4-11)21-18(26)22-17(24)14-10-12(19)5-8-15(14)25-2/h3-8,10H,9H2,1-2H3,(H,20,23)(H2,21,22,24,26)