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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=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)10-11-28-18-9-8-16(12-17(18)22)19(26)23-21(29)25-24-20(27)15-6-4-14(3)5-7-15/h4-9,12-13H,10-11H2,1-3H3,(H,24,27)(H2,23,25,26,29)