3-bromanyl-4-ethoxy-N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=CC(=C2)C)C(C)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=CC(=C2)C)C(C)C)Br

InChI

InChI=1S/C22H26BrN3O4S/c1-5-29-18-9-7-15(11-17(18)23)21(28)24-22(31)26-25-20(27)12-30-19-10-14(4)6-8-16(19)13(2)3/h6-11,13H,5,12H2,1-4H3,(H,25,27)(H2,24,26,28,31)