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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=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)20(27)24-25-21(29)23-19(26)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)