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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[(4-methylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[(4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(p-toluoylamino)thiocarbamoyl]benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C)Br

InChI

InChI=1S/C20H22BrN3O3S/c1-3-4-11-27-17-10-9-15(12-16(17)21)18(25)22-20(28)24-23-19(26)14-7-5-13(2)6-8-14/h5-10,12H,3-4,11H2,1-2H3,(H,23,26)(H2,22,24,25,28)