3-bromanyl-N-[[2-(4-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(4-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[[2-(4-isopropylphenoxy)acetyl]amino]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[[2-(4-isopropylphenoxy)acetyl]amino]thiocarbamoyl]-4-propoxy-benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C(C)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C(C)C)Br

InChI

InChI=1S/C22H26BrN3O4S/c1-4-11-29-19-10-7-16(12-18(19)23)21(28)24-22(31)26-25-20(27)13-30-17-8-5-15(6-9-17)14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H,25,27)(H2,24,26,28,31)