N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-3-phenyl-propionamide Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2)Br

InChI

InChI=1S/C18H18BrN3O2S/c1-12-7-9-14(11-15(12)19)17(24)21-22-18(25)20-16(23)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,21,24)(H2,20,22,23,25)