N-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-isopropyl-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3S/c1-12(2)14-5-7-15(8-6-14)19(26)22-20(28)24-23-18(25)11-27-17-9-4-13(3)10-16(17)21/h4-10,12H,11H2,1-3H3,(H,23,25)(H2,22,24,26,28)