2-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylcarbamothioylamino]-N-phenyl-benzamide

Systemtic Name: 2-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylcarbamothioylamino]-N-phenyl-benzamide Openeye Name: 2-[[2-(4-bromo-3-methyl-phenoxy)acetyl]carbamothioylamino]-N-phenyl-benzamide CAS Name: 2-[[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[[2-(4-bromo-3-methylphenoxy)acetyl]carbamothioylamino]-N-phenylbenzamide Traditional Name: 2-[[2-(4-bromo-3-methyl-phenoxy)acetyl]thiocarbamoylamino]-N-phenyl-benzamide Formula: C23H20BrN3O3S MolecularWeight: 498.3922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)Br

InChI

InChI=1S/C23H20BrN3O3S/c1-15-13-17(11-12-19(15)24)30-14-21(28)27-23(31)26-20-10-6-5-9-18(20)22(29)25-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,29)(H2,26,27,28,31)