5-bromanyl-2-ethoxy-N-[[(3-methylphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[(3-methylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[(3-methylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[[(3-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[(3-methylbenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[(m-toluoylamino)thiocarbamoyl]benzamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C18H18BrN3O3S/c1-3-25-15-8-7-13(19)10-14(15)17(24)20-18(26)22-21-16(23)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3,(H,21,23)(H2,20,22,24,26)