N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]-3-propoxy-benzamide Formula: C19H20BrN3O4S MolecularWeight: 466.3488

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)Br

InChI

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