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

Systemtic Name: N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S/c1-13(2)10-11-28-17-8-6-15(7-9-17)19(26)23-21(29)25-24-20(27)16-5-4-14(3)18(22)12-16/h4-9,12-13H,10-11H2,1-3H3,(H,24,27)(H2,23,25,26,29)