N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-(2-chlorophenyl)propanamide

Systemtic Name: N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-(2-chlorophenyl)propanamide Openeye Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]-3-(2-chlorophenyl)propanamide CAS Name: N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(2-chlorophenyl)propanamide IUPAC Name: N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-3-(2-chlorophenyl)propanamide Traditional Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]-3-(2-chlorophenyl)propionamide Formula: C18H17BrClN3O3S MolecularWeight: 470.76788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl)Br

InChI

InChI=1S/C18H17BrClN3O3S/c1-26-15-8-6-12(10-13(15)19)17(25)22-23-18(27)21-16(24)9-7-11-4-2-3-5-14(11)20/h2-6,8,10H,7,9H2,1H3,(H,22,25)(H2,21,23,24,27)