3-bromanyl-4-methyl-N-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methyl-N-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(4-allyloxybenzoyl)amino]carbamothioyl]-3-bromo-4-methyl-benzamide CAS Name: 3-bromo-4-methyl-N-[[[oxo-(4-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methyl-N-[[(4-prop-2-enoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(4-allyloxybenzoyl)amino]thiocarbamoyl]-3-bromo-4-methyl-benzamide Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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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)OCC=C)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O3S/c1-3-10-26-15-8-6-13(7-9-15)18(25)22-23-19(27)21-17(24)14-5-4-12(2)16(20)11-14/h3-9,11H,1,10H2,2H3,(H,22,25)(H2,21,23,24,27)