3-bromanyl-N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-4-methoxy-benzamide Formula: C19H20BrN3O4S MolecularWeight: 466.3488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O4S/c1-11-6-12(2)8-14(7-11)27-10-17(24)22-23-19(28)21-18(25)13-4-5-16(26-3)15(20)9-13/h4-9H,10H2,1-3H3,(H,22,24)(H2,21,23,25,28)