3-bromanyl-4-(3-methylbutoxy)-N-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[[1-oxo-2-(4-phenylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[[2-(4-phenylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C27H28BrN3O4S MolecularWeight: 570.49792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C27H28BrN3O4S/c1-18(2)14-15-34-24-13-10-21(16-23(24)28)26(33)29-27(36)31-30-25(32)17-35-22-11-8-20(9-12-22)19-6-4-3-5-7-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,30,32)(H2,29,31,33,36)