N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-3-isobutoxy-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3S/c1-12(2)11-27-16-6-4-5-14(9-16)18(25)22-20(28)24-23-19(26)15-8-7-13(3)17(21)10-15/h4-10,12H,11H2,1-3H3,(H,23,26)(H2,22,24,25,28)